data_2mc4_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 2mc4 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm . . . . . 0 N--CA 1.441 -0.897 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -87.15 106.9 18.2 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -99.37 114.97 39.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.14 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -102.38 129.32 48.81 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.217 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -83.44 115.53 22.1 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.7 mt -76.77 -29.71 56.21 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.463 -175.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -77.38 -32.43 54.9 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.909 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -64.23 -40.91 97.01 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.6 tp -64.3 -30.61 71.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.68 -23.1 63.4 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.017 0.437 . . . . 0.0 110.991 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.0 m -89.84 -5.36 56.94 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 121.906 0.86 . . . . 0.0 109.993 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.8 t -89.46 135.42 31.03 Favored Pre-proline 0 C--N 1.316 -0.877 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . 12.4 Cg_endo -54.28 141.64 70.38 Favored 'Trans proline' 0 C--O 1.262 1.707 0 C-N-CA 123.069 2.513 . . . . 0.0 113.333 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.7 -20.33 33.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.296 1.438 . . . . 0.0 113.891 -173.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 21' ' ' LYS . 7.7 pt-20 -50.54 -41.42 53.89 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.623 0.769 . . . . 0.0 111.585 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 33.6 mtmm -122.8 -24.51 4.82 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.017 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -76.28 -38.49 56.09 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.434 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.3 -60.17 4.79 Favored Glycine 0 N--CA 1.473 1.104 0 O-C-N 124.095 0.872 . . . . 0.0 114.309 -175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -52.61 -39.02 76.7 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 122.889 2.393 . . . . 0.0 112.96 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp -75.78 -38.56 58.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.871 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 93.1 mt-30 -60.99 -33.16 72.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.364 0.602 . . . . 0.0 109.406 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.488 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 4.2 mmp_? -74.95 -47.14 31.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.783 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.83 -54.9 27.69 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.538 0.735 . . . . 0.0 110.067 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.92 93.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.612 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.19 86.47 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.203 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.1 m -71.94 -42.08 67.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.719 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 48.7 mm -64.6 -48.17 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 40' ' ' ASN . 13.8 mm100 -62.31 -46.0 90.68 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 p -65.1 -34.05 77.49 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.479 -0.488 . . . . 0.0 112.063 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -81.15 -22.32 39.09 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.643 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 28.3 mmt180 -84.87 -27.83 26.43 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.259 177.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.84 -48.0 0.99 Allowed Glycine 0 C--N 1.314 -0.685 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.418 ' HB2' ' HB3' ' A' ' 33' ' ' GLN . 23.1 t70 80.14 124.06 0.04 OUTLIER 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 125.61 1.564 . . . . 0.0 114.795 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -147.47 23.43 1.14 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 171.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.637 ' HB3' ' O ' ' A' ' 43' ' ' VAL . 17.0 m120 -104.27 -52.39 2.93 Favored 'General case' 0 CA--C 1.495 -1.161 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.154 -176.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.52 -71.9 0.02 OUTLIER Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.217 0.948 . . . . 0.0 115.423 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -83.05 -39.25 21.46 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 123.312 0.645 . . . . 0.0 111.575 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.637 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 16.5 m -130.37 131.4 65.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -173.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.3 tp -107.89 132.87 53.01 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.3 t -110.98 122.8 48.81 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.8 pt -119.95 179.35 2.09 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -94.11 166.7 12.0 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.99 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -69.44 -40.89 76.94 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 122.022 0.915 . . . . 0.0 108.649 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.49 -30.17 61.72 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.098 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.46 -22.88 61.01 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.138 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.1 tp -64.83 -28.98 69.93 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.363 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -65.8 -21.93 66.53 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.732 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.438 ' O ' HG13 ' A' ' 57' ' ' ILE . 11.4 m -63.49 -42.21 98.54 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.454 HD21 ' OH ' ' A' ' 58' ' ' TYR . 96.1 mt -67.12 -33.06 74.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.047 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.01 74.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.554 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.0 t -73.19 -42.66 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 53' ' ' THR . 44.6 mt -60.99 -45.93 97.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.73 -177.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.454 ' OH ' HD21 ' A' ' 54' ' ' LEU . 3.3 m-85 -89.47 -11.69 42.26 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.129 -0.629 . . . . 0.0 110.232 -175.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 64.8 59.1 0.92 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-O 122.979 1.371 . . . . 0.0 109.709 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -129.49 154.05 47.37 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 113.875 -1.511 . . . . 0.0 108.482 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.0 m -75.12 137.72 72.35 Favored Pre-proline 0 C--N 1.3 -1.55 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -46.68 -43.06 23.74 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 123.724 2.949 . . . . 0.0 113.428 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 m -57.22 -54.05 51.22 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.654 0.782 . . . . 0.0 110.943 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 55.7 t -67.85 -38.26 79.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.542 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.95 -44.83 94.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.351 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.2 m -61.98 -43.53 98.65 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.122 0.487 . . . . 0.0 109.706 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -64.43 -31.76 73.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.519 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 9.9 mm-40 -58.34 -55.97 28.09 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 123.466 0.479 . . . . 0.0 111.112 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.67 -37.82 76.83 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.298 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 93.9 mt -68.22 -42.13 84.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.531 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -64.59 -42.69 95.41 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 123.122 0.569 . . . . 0.0 110.652 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -73.62 -15.62 61.26 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.997 0.427 . . . . 0.0 110.79 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.79 20.76 60.79 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -88.84 -23.43 6.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 58.6 tp -135.51 154.89 51.24 Favored 'General case' 0 N--CA 1.436 -1.175 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.07 151.37 19.25 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 123.486 0.491 . . . . 0.0 110.972 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.35 -12.88 60.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.336 1.065 . . . . 0.0 110.329 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.8 -22.39 66.59 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 114.656 -1.157 . . . . 0.0 110.912 174.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.5 -24.1 61.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.807 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -55.44 -30.97 61.49 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.615 0.766 . . . . 0.0 112.385 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 . . . . . 0 C--O 1.217 -0.619 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.409 -179.157 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp . . . . . 0 N--CA 1.426 -1.63 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -85.79 112.98 21.6 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.754 -173.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.8 t -95.15 112.38 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.582 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tt -106.89 111.53 24.08 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' O ' HG13 ' A' ' 74' ' ' VAL . 10.4 t70 -72.82 108.89 6.02 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.281 -176.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.4 mt -77.19 -21.52 53.81 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -174.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -82.47 -39.57 22.33 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.938 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.43 ' O ' HG22 ' A' ' 17' ' ' VAL . 26.2 tpt180 -66.02 -31.98 73.19 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 173.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.59 -31.25 71.3 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.752 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.46 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -70.75 -31.76 68.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.19 0.519 . . . . 0.0 110.821 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 p -86.69 6.67 30.08 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 13' ' ' ARG . 89.0 t -95.44 130.4 32.24 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -43.72 142.61 3.27 Favored 'Trans proline' 0 C--O 1.255 1.326 0 C-N-CA 124.204 3.269 . . . . 0.0 114.458 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.17 67.36 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.835 1.254 . . . . 0.0 111.286 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -54.18 -40.01 67.15 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.558 0.743 . . . . 0.0 110.125 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -102.34 -51.1 3.43 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.037 -174.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -94.73 1.89 55.5 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -172.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.33 -69.89 0.81 Allowed Glycine 0 N--CA 1.475 1.253 0 N-CA-C 115.044 0.778 . . . . 0.0 115.044 -175.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -68.81 -19.99 40.2 Favored 'Trans proline' 0 C--O 1.241 0.632 0 C-N-CA 122.616 2.21 . . . . 0.0 111.875 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.2 tp -73.55 -38.78 65.12 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.812 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 95.2 mt-30 -63.47 -35.23 79.76 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.6 0.714 . . . . 0.0 109.191 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -68.63 -41.45 79.43 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.256 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.436 ' CE2' HD12 ' A' ' 32' ' ' ILE . 73.8 t80 -64.8 -38.85 92.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.06 88.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.387 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.09 97.37 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 110.315 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.8 m -61.3 -36.74 80.91 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.325 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.436 HD12 ' CE2' ' A' ' 28' ' ' TYR . 47.2 mm -66.3 -45.23 90.25 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.71 -41.65 86.86 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.39 0.431 . . . . 0.0 111.52 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 m -64.91 -31.01 72.04 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.465 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -79.53 -32.52 42.29 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.253 -0.28 . . . . 0.0 110.977 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -72.55 -27.53 62.27 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 120.482 0.182 . . . . 0.0 111.033 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.99 35.85 92.65 Favored Glycine 0 C--O 1.243 0.699 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -145.26 153.29 41.15 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -96.01 0.64 51.92 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 118.982 -1.087 . . . . 0.0 113.643 -175.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -71.71 93.29 1.26 Allowed 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.788 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.83 41.01 1.78 Allowed Glycine 0 CA--C 1.472 -2.624 0 N-CA-C 110.194 -1.163 . . . . 0.0 110.194 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -90.51 -37.76 13.67 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.9 m -141.12 153.71 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.288 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.5 tp -124.09 136.1 54.0 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 p -104.15 119.92 40.0 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 123.444 0.465 . . . . 0.0 110.527 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.9 pt -140.63 171.35 13.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 C-N-CA 122.796 0.438 . . . . 0.0 110.095 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -109.93 171.47 7.43 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -62.86 -30.32 71.42 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.868 0.842 . . . . 0.0 109.558 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.0 -31.69 72.73 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.514 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -85.06 -43.14 14.18 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.6 tp -56.12 -32.16 63.97 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.59 1.156 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.413 ' O ' HG22 ' A' ' 56' ' ' VAL . 79.0 ttt180 -52.6 -42.16 64.32 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.018 0.927 . . . . 0.0 111.043 177.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.484 ' O ' HG13 ' A' ' 57' ' ' ILE . 38.4 m -59.88 -42.05 92.88 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 122.946 0.498 . . . . 0.0 110.763 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.29 -43.78 93.7 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.37 82.46 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.326 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 52' ' ' ARG . 89.8 t -65.6 -35.59 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.754 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 53' ' ' THR . 38.8 mt -65.08 -29.84 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.714 0.768 . . . . 0.0 110.53 -178.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -102.5 5.83 39.66 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.838 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.2 t70 60.74 34.17 19.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.701 1.201 . . . . 0.0 110.25 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' A' ' 60' ' ' GLN . 16.7 mt-30 -113.34 164.47 13.53 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.069 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.6 t -84.79 141.87 38.77 Favored Pre-proline 0 N--CA 1.434 -1.255 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.75 -36.42 82.08 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.253 2.635 . . . . 0.0 112.884 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.0 p -63.22 -52.21 63.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.269 0.556 . . . . 0.0 110.627 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.99 -43.0 97.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.245 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.418 ' O ' HD22 ' A' ' 69' ' ' LEU . 3.2 tm? -58.8 -47.93 83.05 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.191 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.42 ' O ' HG13 ' A' ' 70' ' ' ILE . 96.2 m -57.77 -49.44 76.6 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 123.197 0.599 . . . . 0.0 111.271 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.3 -34.62 75.52 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -64.09 -54.74 29.28 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.504 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.418 HD22 ' O ' ' A' ' 65' ' ' LEU . 4.4 mm? -56.77 -38.3 72.3 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.32 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 66' ' ' THR . 72.0 mt -66.69 -42.27 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-O 120.941 0.401 . . . . 0.0 110.097 177.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.1 m -64.89 -28.51 69.59 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -86.66 -5.5 59.11 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.192 0.52 . . . . 0.0 110.242 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.23 21.0 65.91 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 10' ' ' ASP . 96.8 t -91.79 -45.49 14.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 121.093 0.473 . . . . 0.0 110.279 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.5 tp -104.35 143.96 32.27 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.916 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.15 139.95 58.45 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.02 -19.46 65.7 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 23.4 t70 -59.46 -19.94 51.47 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.028 0.931 . . . . 0.0 111.635 -178.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.9 -27.88 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.507 1.123 . . . . 0.0 112.086 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -56.85 -32.5 65.87 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.647 0.779 . . . . 0.0 112.512 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 78' ' ' ASP . 14.1 ptp180 . . . . . 0 C--O 1.216 -0.703 0 C-N-CA 119.543 -0.863 . . . . 0.0 110.711 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 N--CA 1.416 -2.145 0 CA-C-O 121.178 0.513 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.97 104.29 9.51 Favored 'General case' 0 N--CA 1.41 -2.441 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -88.92 112.26 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.38 123.92 39.15 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -77.04 112.92 14.2 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.27 -26.34 64.72 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -68.49 -47.85 65.95 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.327 0.584 . . . . 0.0 109.972 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -63.31 -40.13 96.5 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.045 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 tp -61.79 -40.8 96.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.266 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.47 -16.35 61.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.103 0.477 . . . . 0.0 111.271 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.4 m -80.7 -26.71 37.33 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.377 0.608 . . . . 0.0 109.607 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.7 t -78.08 134.47 63.66 Favored Pre-proline 0 C--N 1.313 -0.979 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.59 152.33 27.69 Favored 'Trans proline' 0 C--O 1.25 1.1 0 C-N-CA 123.475 2.783 . . . . 0.0 113.304 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.37 -28.32 69.15 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.384 0.673 . . . . 0.0 111.681 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.57 -31.42 56.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.348 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 8.1 mmpt? -108.55 -54.11 2.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.086 0.47 . . . . 0.0 111.045 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.02 -9.54 45.54 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -172.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.413 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -57.89 -56.8 23.18 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 119.749 -0.473 . . . . 0.0 113.572 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.27 -22.53 46.21 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 121.984 1.789 . . . . 0.0 111.501 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.589 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -73.91 -46.62 43.24 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 178.796 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -63.92 -26.58 68.66 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 21.6 mtm180 -62.82 -50.83 69.41 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.458 ' CD1' HD21 ' A' ' 54' ' ' LEU . 39.8 t80 -63.25 -43.88 96.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.068 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -56.63 -47.26 80.09 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.41 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.15 85.53 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.562 0.539 . . . . 0.0 110.252 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.2 m -63.36 -44.93 93.39 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.695 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.4 mm -69.07 -40.08 80.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.956 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 28.0 mt-30 -57.64 -49.25 77.06 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.129 0.49 . . . . 0.0 110.089 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.8 t -66.81 -49.26 66.38 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.104 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -86.28 -43.46 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -172.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -110.37 -28.6 8.5 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 118.601 -1.239 . . . . 0.0 112.857 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.89 -10.81 82.5 Favored Glycine 0 CA--C 1.494 -1.266 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 t70 49.0 64.25 1.8 Allowed 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 125.874 1.669 . . . . 0.0 111.851 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 58.34 87.72 0.07 Allowed 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.678 1.591 . . . . 0.0 114.283 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -157.12 122.62 4.66 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.39 28.85 8.32 Favored Glycine 0 N--CA 1.436 -1.348 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.192 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -100.16 -56.36 2.38 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.513 0.673 . . . . 0.0 110.031 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.2 m -137.31 154.96 31.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.795 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.5 tp -128.65 131.27 48.04 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -111.67 113.23 25.48 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 120.881 0.372 . . . . 0.0 110.427 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.9 pt -123.66 172.1 11.6 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -97.9 171.98 7.94 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.65 -24.07 62.63 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 173.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -62.74 -39.46 94.17 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.639 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -70.72 -39.63 73.29 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.03 -32.02 73.24 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.62 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' O ' HG21 ' A' ' 56' ' ' VAL . 46.7 ttm105 -59.86 -40.66 89.36 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.436 ' O ' HG13 ' A' ' 57' ' ' ILE . 48.3 m -70.33 -38.34 74.88 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.906 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' ' 28' ' ' TYR . 76.8 mt -55.17 -49.66 71.31 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.69 -31.22 66.15 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.657 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 52' ' ' ARG . 61.7 t -73.32 -38.61 54.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 53' ' ' THR . 34.7 mt -63.07 -47.86 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 121.185 0.516 . . . . 0.0 110.577 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.589 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 4.5 m-85 -88.03 -3.29 58.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.119 -175.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 t70 58.29 61.07 2.4 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.82 1.248 . . . . 0.0 109.6 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -134.89 165.28 25.66 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.496 -1.229 . . . . 0.0 109.692 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.0 t -76.75 131.62 73.39 Favored Pre-proline 0 N--CA 1.429 -1.513 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.43 -36.53 88.08 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 123.008 2.472 . . . . 0.0 111.812 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.6 m -62.64 -50.07 72.68 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.186 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 49.1 t -69.22 -36.67 73.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.923 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.407 ' O ' HD21 ' A' ' 69' ' ' LEU . 2.1 tm? -61.02 -50.86 71.64 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.999 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.9 m -60.12 -42.88 95.71 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.445 0.64 . . . . 0.0 109.296 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.28 -42.66 99.02 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.153 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 64' ' ' VAL . 26.6 mt-30 -61.77 -51.4 68.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 122.467 0.307 . . . . 0.0 111.203 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.407 HD21 ' O ' ' A' ' 65' ' ' LEU . 4.4 mm? -56.16 -39.67 72.69 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 120.758 0.313 . . . . 0.0 111.74 178.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.88 -47.15 83.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.319 176.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 m -65.47 -31.89 73.2 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -73.33 -16.8 61.35 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 110.649 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.9 18.95 49.35 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.113 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.99 -44.8 14.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.8 tp -104.99 151.41 23.95 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.28 147.67 34.21 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -59.56 -51.67 68.86 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -176.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.9 -21.53 30.41 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.22 -24.56 66.43 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.099 0.56 . . . . 0.0 111.61 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 8.3 ptm180 -55.1 -32.11 61.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.448 0.699 . . . . 0.0 111.975 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.91 -176.179 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm . . . . . 0 N--CA 1.434 -1.24 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 45' ' ' SER . 69.6 mt -80.45 109.93 15.42 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -175.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.9 114.03 41.33 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.451 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.11 126.62 49.11 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -79.25 110.15 14.26 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 175.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.24 -33.73 75.95 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.598 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -69.99 -31.27 68.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.6 0.714 . . . . 0.0 110.271 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -75.65 -35.19 60.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.94 -29.53 70.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.486 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.3 0.3 14.72 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.27 0.628 . . . . 0.0 111.513 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -107.13 4.04 26.4 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 122.506 1.146 . . . . 0.0 109.096 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.9 t -106.04 126.41 30.69 Favored Pre-proline 0 N--CA 1.439 -0.985 0 N-CA-C 108.066 -1.086 . . . . 0.0 108.066 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.599 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 36.9 Cg_endo -63.22 158.44 44.37 Favored 'Trans proline' 0 C--O 1.256 1.422 0 C-N-CA 123.068 2.512 . . . . 0.0 113.757 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.23 -27.35 67.13 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -173.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.599 ' OE1' ' HB2' ' A' ' 18' ' ' PRO . 2.9 pm0 -62.44 -22.99 66.63 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -116.95 -41.93 2.99 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.751 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -103.29 -0.65 29.99 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -175.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.0 -65.38 2.72 Favored Glycine 0 N--CA 1.483 1.768 0 N-CA-C 115.062 0.785 . . . . 0.0 115.062 -174.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.16 -28.74 64.9 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.09 1.86 . . . . 0.0 111.679 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.75 -42.65 73.63 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.841 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 96.8 mt-30 -64.75 -40.86 96.0 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.0 mtm105 -64.46 -44.47 90.99 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.351 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.402 ' O ' HG12 ' A' ' 32' ' ' ILE . 54.9 t80 -61.39 -43.96 97.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.39 88.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.328 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.33 73.93 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.914 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.425 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 72.4 m -66.16 -44.13 84.98 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.011 177.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 28' ' ' TYR . 48.3 mm -61.74 -41.91 92.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.268 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -56.64 -56.24 23.85 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.9 p -68.16 -36.36 79.52 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 31' ' ' THR . 85.7 mm-40 -67.87 -42.07 81.85 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.897 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -73.49 -26.32 60.85 Favored 'General case' 0 N--CA 1.424 -1.771 0 CA-C-O 121.077 0.465 . . . . 0.0 110.372 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.88 32.0 13.83 Favored Glycine 0 CA--C 1.49 -1.469 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -119.45 153.51 35.16 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 114.919 -0.641 . . . . 0.0 109.971 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -124.86 16.76 8.64 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -73.09 100.4 3.02 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.38 30.99 9.05 Favored Glycine 0 C--N 1.294 -1.802 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -96.91 -59.02 1.89 Allowed 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.8 m -138.92 157.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.081 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.1 tp -135.47 134.03 39.14 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 23.0 t -119.88 116.33 25.61 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.205 0.526 . . . . 0.0 109.669 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 pp -113.86 170.45 4.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.206 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.91 177.17 4.97 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.987 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 88.5 mm-40 -69.41 -28.01 65.79 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.913 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -67.53 -36.61 81.35 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.164 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' HD13 ' A' ' 54' ' ' LEU . 6.7 m-20 -70.35 -42.0 72.44 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 tp -53.59 -43.45 68.59 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.072 0.463 . . . . 0.0 110.365 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 48' ' ' GLN . 28.1 mmm180 -64.93 -24.21 67.46 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.393 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.446 ' O ' HG13 ' A' ' 57' ' ' ILE . 32.0 m -87.4 -52.73 5.2 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 50' ' ' ASP . 10.8 mp -52.49 -46.41 66.58 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 124.232 1.013 . . . . 0.0 112.717 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.61 68.02 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.465 0.478 . . . . 0.0 111.556 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.93 -37.29 53.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.287 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 53' ' ' THR . 53.8 mt -61.94 -38.35 80.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.437 0.636 . . . . 0.0 109.826 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -92.51 4.49 53.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.649 -176.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 66.17 24.1 10.85 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.452 1.101 . . . . 0.0 111.05 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -109.33 158.96 17.38 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.443 0.639 . . . . 0.0 111.741 -176.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.0 m -88.79 141.95 30.27 Favored Pre-proline 0 C--N 1.298 -1.636 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.471 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -44.48 -45.25 13.02 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 124.742 3.628 . . . . 0.0 116.555 -174.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.6 m -66.21 -50.74 62.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 118.079 0.4 . . . . 0.0 110.786 -176.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.4 m -69.66 -27.56 34.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.231 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.8 -46.1 76.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -62.63 -43.56 98.49 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.571 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.89 -42.05 97.23 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.751 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -52.67 -57.08 11.22 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.27 0.628 . . . . 0.0 111.198 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.06 -38.74 68.41 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.1 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.8 mt -73.3 -38.91 54.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.296 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.4 p -69.55 -22.9 63.51 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -85.63 -14.35 45.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.356 0.598 . . . . 0.0 109.703 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.37 19.52 68.83 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 -177.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.3 t -88.52 -34.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.142 0.496 . . . . 0.0 109.687 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.8 tp -116.29 148.12 40.85 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.947 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.03 141.29 58.82 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.337 1.023 . . . . 0.0 110.144 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.85 -27.83 67.85 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -174.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.61 -20.35 62.76 Favored 'General case' 0 C--N 1.31 -1.128 0 O-C-N 122.093 -0.38 . . . . 0.0 111.974 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.02 -38.74 62.61 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.189 0.596 . . . . 0.0 111.955 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -65.39 -26.28 67.92 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.42 ' N ' ' HD3' ' A' ' 80' ' ' ARG . 55.8 ttp85 . . . . . 0 CA--C 1.504 -0.824 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.41 ' HZ2' ' HB2' ' A' ' 6' ' ' LYS . 10.0 mtmp? . . . . . 0 N--CA 1.419 -1.989 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 62.1 mt -81.36 104.67 11.97 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.395 -171.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.24 126.89 74.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.9 mt -102.67 138.61 39.35 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.314 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -89.6 107.64 19.2 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 175.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.1 mt -74.51 -22.26 59.14 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.967 -174.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -76.06 -39.18 56.04 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -68.59 -35.31 77.18 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.6 tp -65.4 -29.05 69.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.211 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.71 -22.42 59.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 m -81.93 -31.82 31.14 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.221 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.03 132.07 93.54 Favored Pre-proline 0 C--O 1.242 0.7 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -39.59 134.48 1.43 Allowed 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 124.291 3.327 . . . . 0.0 113.458 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.05 -18.25 45.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -174.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -79.01 -30.28 44.16 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.561 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -85.24 -48.44 9.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.183 0.516 . . . . 0.0 110.374 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.91 -6.12 27.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -173.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.28 -60.26 9.25 Favored Glycine 0 N--CA 1.468 0.77 0 CA-C-O 119.907 -0.385 . . . . 0.0 113.502 -177.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -57.59 -28.29 80.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 122.549 2.166 . . . . 0.0 112.48 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.426 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 46.1 tp -77.84 -34.36 51.89 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.508 -177.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -63.97 -23.34 67.3 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.977 0.418 . . . . 0.0 111.498 175.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -69.62 -53.17 20.04 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.553 ' CD2' HD21 ' A' ' 54' ' ' LEU . 69.9 t80 -57.35 -42.02 81.21 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 114.319 -1.309 . . . . 0.0 110.186 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.565 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -54.06 -51.87 62.7 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.894 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.0 76.16 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-O 121.262 0.554 . . . . 0.0 111.831 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.1 m -67.09 -47.17 72.02 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 121.492 0.663 . . . . 0.0 109.777 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.496 HG13 ' CE2' ' A' ' 28' ' ' TYR . 34.7 mm -69.81 -36.29 69.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.857 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 28.6 mt-30 -55.01 -47.96 74.0 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.5 m -60.27 -41.5 93.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.564 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -71.37 -29.06 64.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -99.31 7.86 45.22 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.294 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.19 27.79 71.23 Favored Glycine 0 C--O 1.242 0.643 0 CA-C-N 115.199 -0.91 . . . . 0.0 114.138 174.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.539 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 22.1 t70 -108.17 129.62 55.17 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.228 -178.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -132.07 29.17 4.4 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -91.83 -38.69 12.19 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.834 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.82 22.3 77.2 Favored Glycine 0 C--O 1.224 -0.526 0 CA-C-N 115.59 -0.732 . . . . 0.0 113.691 175.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -100.25 -64.99 0.99 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 117.231 0.515 . . . . 0.0 111.609 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.5 m -126.56 125.35 67.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.969 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.0 tp -116.01 119.39 35.74 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.055 -178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 m -82.46 125.26 30.88 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.636 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.3 pt -123.93 176.25 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.251 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -107.15 169.4 8.58 Favored 'General case' 0 C--N 1.29 -1.978 0 C-N-CA 123.09 0.556 . . . . 0.0 109.841 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -66.8 -31.78 72.63 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.3 -41.24 98.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.473 -1.24 . . . . 0.0 111.027 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -65.97 -42.66 89.6 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.62 -41.13 98.82 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.653 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -62.74 -38.24 89.75 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.167 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.8 m -67.85 -38.99 83.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.343 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.553 HD21 ' CD2' ' A' ' 28' ' ' TYR . 92.1 mt -61.12 -39.76 91.21 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.176 177.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.52 69.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.829 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.98 -47.85 66.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.967 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.4 mt -63.04 -46.37 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.604 0.716 . . . . 0.0 110.808 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.426 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 9.6 m-85 -91.37 8.02 38.22 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.026 -172.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 52.81 65.95 1.37 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.267 1.032 . . . . 0.0 110.539 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.516 HE21 ' HA ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -139.01 172.8 12.31 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.568 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.8 p -102.87 155.48 36.52 Favored Pre-proline 0 C--N 1.282 -2.332 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -46.3 -43.49 21.39 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.267 2.645 . . . . 0.0 114.008 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.1 t -71.1 -40.47 71.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.693 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.4 t -68.03 -37.44 78.27 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 CA-C-O 121.184 0.516 . . . . 0.0 109.728 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.34 -51.61 65.26 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.615 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.7 t -64.32 -35.05 79.6 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.17 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.61 -38.27 89.53 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -68.52 -48.62 63.9 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.182 0.301 . . . . 0.0 111.009 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.23 -39.79 79.99 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.07 -34.33 45.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.363 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.6 t -61.55 -42.05 98.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 28.8 m0 -74.49 -16.59 60.84 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.346 0.593 . . . . 0.0 111.103 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.1 10.51 78.14 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.4 t -77.02 -35.21 22.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 tp -112.88 146.13 39.46 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.68 146.3 51.71 Favored 'General case' 0 C--N 1.313 -1.019 0 O-C-N 123.81 0.694 . . . . 0.0 111.467 -177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' O ' ' HD2' ' A' ' 80' ' ' ARG . . . -69.05 -27.91 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -176.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.517 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 33.7 t70 -83.91 -23.19 31.3 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.521 0.677 . . . . 0.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.64 -24.15 55.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.401 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.517 ' NH1' ' HA ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -56.99 -16.36 6.83 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.227 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 178.607 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm . . . . . 0 CA--C 1.503 -0.834 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.4 mt -105.8 136.82 44.74 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.8 t -111.18 113.02 43.07 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-O 121.143 0.497 . . . . 0.0 110.141 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.1 tp -94.14 124.99 38.5 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -88.84 109.96 20.64 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.5 mt -73.28 -34.88 66.03 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.666 -174.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -68.71 -44.05 74.72 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.962 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -68.63 -31.76 71.14 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.353 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.79 -35.19 77.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.266 0.555 . . . . 0.0 109.528 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -74.3 -17.3 60.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.214 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -85.08 -21.03 29.5 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.303 0.573 . . . . 0.0 109.713 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -86.86 124.75 68.54 Favored Pre-proline 0 N--CA 1.442 -0.871 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -53.69 151.49 25.07 Favored 'Trans proline' 0 C--O 1.259 1.531 0 C-N-CA 123.158 2.572 . . . . 0.0 113.554 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -21.51 47.31 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -170.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -56.84 -47.64 79.88 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.732 0.696 . . . . 0.0 110.385 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -100.88 -30.99 11.37 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.754 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.92 -17.02 19.48 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.93 -64.03 4.08 Favored Glycine 0 N--CA 1.474 1.168 0 N-CA-C 114.803 0.681 . . . . 0.0 114.803 -175.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.47 -26.04 76.38 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.696 2.264 . . . . 0.0 112.523 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 3.5 tt -77.42 -40.66 42.68 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.45 ' NE2' ' HA ' ' A' ' 15' ' ' ALA . 17.1 mm-40 -56.46 -44.07 80.16 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.659 0.784 . . . . 0.0 110.674 175.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -46.07 85.91 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 123.768 0.668 . . . . 0.0 111.44 177.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -65.85 -47.56 74.54 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.82 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.21 89.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.104 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.58 91.53 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.085 0.469 . . . . 0.0 110.467 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 98.2 m -64.53 -42.85 95.48 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.811 177.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mm -61.83 -44.96 99.59 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -55.63 -44.2 76.87 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.422 0.629 . . . . 0.0 111.242 176.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m -68.08 -27.48 66.53 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.388 -177.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 31' ' ' THR . 23.6 mt-30 -88.19 -19.72 26.53 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.478 0.656 . . . . 0.0 110.105 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -78.81 -26.09 44.27 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.21 -58.16 3.54 Favored Glycine 0 N--CA 1.44 -1.074 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.035 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -112.27 134.31 53.89 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -67.33 128.51 36.68 Favored 'General case' 0 C--N 1.311 -1.085 0 O-C-N 124.071 0.857 . . . . 0.0 109.385 -176.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -63.67 -35.26 79.95 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.607 0.567 . . . . 0.0 112.18 -174.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.36 -105.1 0.64 Allowed Glycine 0 N--CA 1.435 -1.38 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.566 173.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -94.88 -36.07 11.78 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.662 0.744 . . . . 0.0 110.243 -176.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.95 171.92 16.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.614 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -141.11 129.73 22.75 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 p -86.73 115.4 24.15 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.11 0.481 . . . . 0.0 110.936 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.3 pt -119.31 159.39 20.14 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -82.15 159.0 23.43 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.805 -0.758 . . . . 0.0 112.128 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.593 ' NE2' ' H ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -51.18 -50.09 59.66 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 125.89 1.676 . . . . 0.0 112.362 177.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -82.13 -18.28 43.44 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 121.003 0.43 . . . . 0.0 111.565 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.79 -33.05 70.35 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.264 0.554 . . . . 0.0 110.072 -175.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.15 -29.28 70.67 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.775 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -68.44 -23.64 64.63 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.092 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 m -70.46 -33.41 71.26 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.036 0.446 . . . . 0.0 110.337 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.4 -37.26 86.44 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.743 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.95 -39.75 78.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.367 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.95 -40.67 89.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.067 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.7 mt -63.32 -39.51 85.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.963 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.463 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 3.0 m-85 -94.89 7.82 44.75 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.057 -175.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 61.5 30.86 18.97 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 123.876 0.87 . . . . 0.0 112.546 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -104.56 169.35 8.51 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.653 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.0 t -99.57 137.21 20.22 Favored Pre-proline 0 N--CA 1.415 -2.205 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.81 -32.83 38.59 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.554 2.836 . . . . 0.0 113.18 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 m -55.82 -56.3 22.21 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.945 0.898 . . . . 0.0 110.516 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -78.96 -25.81 13.19 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.313 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.48 -47.36 76.33 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.4 m -63.39 -38.1 89.84 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.32 -45.74 92.33 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.46 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.59 -53.84 52.65 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.75 0.82 . . . . 0.0 111.42 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.419 ' HB3' ' CB ' ' A' ' 75' ' ' LEU . 4.2 mm? -53.93 -42.67 69.05 Favored 'General case' 0 C--O 1.249 1.075 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.0 mt -68.15 -36.08 73.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-O 121.035 0.445 . . . . 0.0 110.764 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.3 m -69.9 -28.17 65.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.142 0.496 . . . . 0.0 111.379 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -84.21 -16.54 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.58 13.97 79.07 Favored Glycine 0 C--O 1.243 0.659 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -86.27 -28.28 6.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.511 0.672 . . . . 0.0 109.228 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.419 ' CB ' ' HB3' ' A' ' 69' ' ' LEU . 51.9 tp -118.74 135.78 54.31 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.88 132.56 51.17 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 123.962 0.789 . . . . 0.0 109.91 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.39 -37.01 46.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -172.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.41 -19.26 8.65 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.06 0.944 . . . . 0.0 112.524 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.99 53.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.792 0.437 . . . . 0.0 111.583 175.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -29.61 69.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.04 0.447 . . . . 0.0 110.179 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.0 mttt . . . . . 0 N--CA 1.431 -1.416 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 45' ' ' SER . 71.3 mt -83.25 97.5 8.9 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.905 -176.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m -93.89 112.57 27.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-O 121.488 0.661 . . . . 0.0 111.577 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 9' ' ' LEU . 3.9 pp -101.48 131.11 47.78 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -77.59 118.49 20.04 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.066 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -78.46 -16.42 57.58 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -84.43 -42.13 15.96 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -68.14 -33.52 74.63 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.919 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.42 -29.17 70.23 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.183 0.516 . . . . 0.0 109.847 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.58 -23.09 60.91 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.518 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.5 p -87.21 -10.34 52.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.884 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.6 t -81.77 129.16 66.23 Favored Pre-proline 0 C--O 1.241 0.634 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.5 142.93 80.06 Favored 'Trans proline' 0 C--O 1.252 1.222 0 C-N-CA 123.015 2.477 . . . . 0.0 113.111 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.88 -18.85 58.59 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.22 1.008 . . . . 0.0 111.659 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -54.26 -32.84 57.16 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.101 0.56 . . . . 0.0 110.997 174.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -118.69 -38.1 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.162 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.06 -2.03 58.37 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.18 -64.94 3.93 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 121.702 -0.285 . . . . 0.0 113.298 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.98 -20.99 57.35 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.237 1.958 . . . . 0.0 111.933 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.98 -42.75 59.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.272 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.88 -34.55 76.22 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.543 175.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -64.89 -49.81 69.01 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.05 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.471 ' O ' HG12 ' A' ' 32' ' ' ILE . 46.1 t80 -59.27 -47.26 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.761 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.33 85.01 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.05 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.08 77.56 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.506 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.1 m -65.28 -43.38 91.37 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 28' ' ' TYR . 49.2 mm -62.24 -44.88 99.63 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.93 -47.86 83.54 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.28 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 p -69.57 -36.9 76.72 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -60.78 -50.65 72.61 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.413 0.149 . . . . 0.0 111.039 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.41 -26.79 61.99 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.294 0.568 . . . . 0.0 109.853 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.71 41.21 51.01 Favored Glycine 0 N--CA 1.438 -1.213 0 N-CA-C 107.599 -2.201 . . . . 0.0 107.599 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -104.08 133.23 49.38 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.428 -0.886 . . . . 0.0 108.836 -173.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -100.29 12.04 38.01 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.631 0.729 . . . . 0.0 111.291 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -73.3 105.07 4.54 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.795 0.807 . . . . 0.0 110.576 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.85 23.73 25.14 Favored Glycine 0 C--N 1.302 -1.331 0 CA-C-N 114.385 -1.279 . . . . 0.0 112.072 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -98.15 -65.03 0.99 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.479 0.657 . . . . 0.0 109.931 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.84 127.69 18.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.9 tp -102.58 120.08 39.94 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 22.0 t -93.75 114.54 26.84 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -113.19 173.22 2.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 109.632 -0.506 . . . . 0.0 109.632 177.622 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -85.66 163.2 18.42 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.634 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.404 ' H ' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -65.45 -24.17 67.11 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.642 0.734 . . . . 0.0 109.056 171.167 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.98 -34.97 79.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.143 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -75.9 -41.69 51.23 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.424 HD23 ' OG1' ' A' ' 66' ' ' THR . 31.8 tp -52.86 -48.95 66.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.103 176.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' HG21 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -68.07 -30.18 69.32 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 179.677 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.627 ' O ' HG13 ' A' ' 57' ' ' ILE . 89.5 m -71.87 -40.63 68.81 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.34 -48.09 71.8 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.111 0.564 . . . . 0.0 110.161 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.71 74.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.231 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' ' 52' ' ' ARG . 95.5 t -69.47 -36.7 72.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.033 0.444 . . . . 0.0 110.533 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' ' 53' ' ' THR . 53.3 mt -67.32 -34.03 66.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.598 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -101.9 4.03 39.73 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.91 -175.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 61.88 34.75 16.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.92 0.888 . . . . 0.0 111.945 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -109.92 164.89 12.16 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.794 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.1 t -78.53 135.0 61.06 Favored Pre-proline 0 C--N 1.299 -1.599 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.1 -38.56 80.85 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.95 2.433 . . . . 0.0 112.083 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -64.01 -42.44 97.15 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.61 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.2 t -75.54 -39.47 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.423 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.5 tm? -56.68 -42.18 78.62 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 123.365 0.666 . . . . 0.0 109.215 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.424 ' OG1' HD23 ' A' ' 51' ' ' LEU . 59.8 m -58.12 -49.8 75.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.859 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.69 -40.22 95.0 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.411 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.406 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -56.97 -48.3 78.71 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.723 0.409 . . . . 0.0 111.222 178.516 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 65' ' ' LEU . 4.2 mm? -59.87 -35.43 74.8 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.238 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 90.5 mt -72.79 -38.19 56.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.341 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.4 m -63.36 -36.64 84.39 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.907 0.483 . . . . 0.0 111.466 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -76.91 -13.18 60.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.51 0.671 . . . . 0.0 109.978 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.87 30.0 49.4 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.63 -48.53 12.01 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.5 tp -95.73 143.55 26.88 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.68 139.54 57.85 Favored 'General case' 0 C--N 1.317 -0.804 0 O-C-N 123.426 0.454 . . . . 0.0 109.932 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.532 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -54.93 -42.12 71.88 Favored 'General case' 0 C--O 1.209 -1.069 0 C-N-CA 124.026 0.93 . . . . 0.0 113.272 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.46 -25.77 1.17 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.08 -30.91 68.43 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.427 0.291 . . . . 0.0 111.563 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 6.7 ptm180 -63.36 -34.84 78.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.097 0.475 . . . . 0.0 109.901 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 . . . . . 0 N--CA 1.433 -1.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.237 -178.583 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 6.6 mptt . . . . . 0 CA--C 1.508 -0.657 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.75 96.81 10.63 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -104.18 124.34 58.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.5 tp -97.12 117.18 30.74 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.67 113.23 19.53 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.9 mt -80.08 -18.13 50.81 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.61 -46.92 11.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 120.962 0.411 . . . . 0.0 110.017 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.93 -28.36 68.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.17 0.51 . . . . 0.0 109.779 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.08 -33.9 74.07 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.833 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.81 -24.96 52.8 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 120.957 0.408 . . . . 0.0 111.411 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 p -77.85 -15.63 58.91 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.964 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -81.18 129.85 65.19 Favored Pre-proline 0 N--CA 1.44 -0.95 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -43.96 138.7 6.2 Favored 'Trans proline' 0 C--O 1.254 1.278 0 C-N-CA 124.116 3.211 . . . . 0.0 113.705 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.48 60.98 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 123.92 0.888 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.98 -28.35 62.27 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -112.47 -46.1 3.19 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 120.912 0.387 . . . . 0.0 110.649 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -88.08 -12.8 43.17 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -173.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -44.88 -71.37 0.48 Allowed Glycine 0 N--CA 1.481 1.659 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 -174.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -68.31 -22.89 39.22 Favored 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 122.214 1.943 . . . . 0.0 112.855 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.604 ' HB2' ' OH ' ' A' ' 58' ' ' TYR . 4.7 tt -66.71 -42.42 86.38 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 55.1 mt-30 -63.98 -30.07 71.17 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.751 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -68.22 -46.25 71.05 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.904 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.468 ' O ' HG12 ' A' ' 32' ' ' ILE . 63.6 t80 -53.86 -49.17 69.08 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.235 174.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.14 90.65 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.08 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.37 87.79 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 122.989 0.515 . . . . 0.0 111.091 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 64.1 m -64.79 -41.52 95.76 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.389 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 28' ' ' TYR . 50.7 mm -62.68 -41.33 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 121.241 0.543 . . . . 0.0 109.67 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.455 HE22 ' CB ' ' A' ' 39' ' ' TYR . 27.8 mm-40 -59.87 -40.87 90.13 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.403 176.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.3 m -70.54 -28.15 64.7 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.529 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 31' ' ' THR . 81.2 mm-40 -75.05 -40.65 60.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.594 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -90.31 -5.37 56.34 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 -57.3 4.63 Favored Glycine 0 C--O 1.239 0.461 0 C-N-CA 121.242 -0.504 . . . . 0.0 111.946 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -144.84 163.12 35.05 Favored 'General case' 0 N--CA 1.418 -2.04 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.518 ' CE2' ' HA ' ' A' ' 44' ' ' LEU . 13.4 t80 -153.89 -170.39 3.56 Favored 'General case' 0 N--CA 1.416 -2.168 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 178.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -58.81 -45.99 88.65 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 123.514 0.725 . . . . 0.0 109.983 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.7 -40.66 2.46 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.856 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -81.5 -41.42 21.74 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.404 0.621 . . . . 0.0 109.658 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.8 m -128.48 160.79 38.33 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.872 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.518 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 61.5 tp -135.46 118.73 16.66 Favored 'General case' 0 C--N 1.311 -1.081 0 C-N-CA 123.817 0.847 . . . . 0.0 109.302 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -80.43 122.62 27.19 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.4 pt -118.82 170.38 8.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -105.29 175.52 5.47 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -66.14 -28.32 68.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.927 0.394 . . . . 0.0 111.772 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -75.5 -31.09 60.05 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.379 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.73 -46.14 91.58 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.1 tp -56.41 -46.74 80.03 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.404 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.485 ' O ' HG22 ' A' ' 56' ' ' VAL . 64.2 mtt180 -64.36 -39.7 94.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.214 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.1 m -60.95 -36.81 80.36 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.0 0.429 . . . . 0.0 110.639 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.96 -34.51 77.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.347 0.594 . . . . 0.0 110.869 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.58 -32.84 66.31 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.122 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 52' ' ' ARG . 61.5 t -67.82 -33.53 62.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.727 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.1 mt -56.17 -46.58 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.555 0.693 . . . . 0.0 109.712 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.604 ' OH ' ' HB2' ' A' ' 25' ' ' LEU . 9.2 m-85 -93.25 -4.27 52.18 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.968 -174.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 60.7 58.56 2.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.984 1.373 . . . . 0.0 109.962 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -131.92 171.99 12.89 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.126 -1.397 . . . . 0.0 109.455 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.6 t -77.22 139.33 64.61 Favored Pre-proline 0 N--CA 1.425 -1.711 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.805 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -58.4 -29.97 89.91 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.539 2.16 . . . . 0.0 110.74 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 m -57.03 -53.82 53.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.838 0.855 . . . . 0.0 110.577 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -73.27 -30.6 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.732 -176.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 2.9 tm? -66.53 -44.08 83.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.8 m -63.64 -50.86 67.66 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.709 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.93 -32.27 73.74 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.655 -177.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -66.56 -49.23 67.09 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.399 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD21 ' CZ3' ' A' ' 72' ' ' TRP . 78.2 mt -57.9 -39.71 78.57 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.552 0.215 . . . . 0.0 111.47 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.89 -43.0 96.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.087 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.8 m -66.7 -32.45 73.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.45 ' CZ3' HD21 ' A' ' 69' ' ' LEU . 35.5 m0 -77.53 -17.41 57.96 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.031 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.84 20.75 57.38 Favored Glycine 0 C--N 1.321 -0.281 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.7 t -93.38 -40.4 11.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.021 0.438 . . . . 0.0 110.494 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.4 tp -94.93 141.57 28.5 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -54.27 137.36 41.51 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 124.022 0.826 . . . . 0.0 111.058 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.0 71.94 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.554 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 21.6 t70 -80.82 -20.14 43.1 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 121.744 -0.597 . . . . 0.0 111.086 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.68 -24.88 15.85 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.554 ' NH1' ' HA ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -62.24 -23.02 66.43 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.071 0.462 . . . . 0.0 111.176 -178.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 . . . . . 0 CA--C 1.542 0.658 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.845 -179.788 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm . . . . . 0 C--O 1.24 0.599 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 67.9 mt -117.35 131.84 56.71 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.427 0.632 . . . . 0.0 112.044 -170.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.6 t -110.81 116.52 52.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 74' ' ' VAL . 38.4 tp -102.2 128.75 48.57 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -177.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.43 108.29 16.49 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.6 mt -80.89 -23.21 39.15 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -176.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -79.44 -33.3 42.62 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -176.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -71.41 -36.89 71.51 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.1 tp -63.97 -36.81 85.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.317 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.85 69.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.429 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 p -89.99 -5.31 56.8 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t -82.55 128.31 67.17 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -38.68 138.67 0.49 Allowed 'Trans proline' 0 C--O 1.261 1.647 0 C-N-CA 124.588 3.525 . . . . 0.0 114.742 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.43 -23.97 63.12 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 124.551 1.14 . . . . 0.0 112.352 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -57.12 -34.53 68.47 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.204 0.526 . . . . 0.0 111.056 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -110.54 -53.84 2.65 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.841 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -90.39 -11.49 40.35 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -172.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.45 -65.21 3.44 Favored Glycine 0 CA--C 1.535 1.297 0 N-CA-C 114.195 0.438 . . . . 0.0 114.195 -175.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -62.7 -24.39 74.77 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.443 2.095 . . . . 0.0 112.365 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HG ' ' HH ' ' A' ' 58' ' ' TYR . 4.9 tt -75.21 -41.41 57.79 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 80.1 mt-30 -59.18 -39.76 83.56 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 121.097 0.475 . . . . 0.0 110.189 176.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -65.02 -43.68 91.66 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.433 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.439 ' O ' HG12 ' A' ' 32' ' ' ILE . 52.5 t80 -56.8 -51.16 70.03 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 174.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -55.93 -48.19 76.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.428 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.08 70.36 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.231 0.613 . . . . 0.0 111.62 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.9 m -73.13 -30.24 63.46 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.433 0.635 . . . . 0.0 109.767 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.442 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 49.8 mm -83.96 -31.52 8.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.681 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 27.6 mt-30 -49.46 -44.19 45.6 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.996 0.518 . . . . 0.0 111.769 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.4 p -64.14 -36.02 82.68 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -176.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 3.5 pt20 -78.59 -23.0 46.23 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.012 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -86.49 2.77 46.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.505 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.03 17.33 13.06 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.997 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 t70 75.88 -52.46 0.63 Allowed 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 125.651 1.58 . . . . 0.0 112.442 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.09 -5.89 59.31 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.011 -1.449 . . . . 0.0 113.349 -175.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -86.4 64.72 8.69 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 171.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.88 -2.08 3.19 Favored Glycine 0 N--CA 1.431 -1.7 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.382 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -80.3 -53.48 6.6 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 172.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.8 m -123.93 131.1 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.63 0 CA-C-N 113.17 -1.832 . . . . 0.0 106.234 171.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.1 tp -97.64 118.19 33.62 Favored 'General case' 0 C--N 1.281 -2.4 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -176.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -91.29 102.51 15.22 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.88 -179.93 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -175.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -103.48 163.7 12.12 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.111 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.541 ' NE2' ' H ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -64.85 -26.4 68.31 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.746 175.627 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.93 -38.87 87.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.612 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.52 -29.3 56.69 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.991 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.02 -37.61 88.06 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 48' ' ' GLN . 12.0 mmm180 -60.37 -44.05 96.0 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.031 177.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.51 ' O ' HG13 ' A' ' 57' ' ' ILE . 15.8 m -58.84 -47.3 85.34 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.068 178.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.9 mt -54.6 -49.04 71.37 Favored 'General case' 0 CA--C 1.516 -0.364 0 O-C-N 123.901 0.751 . . . . 0.0 111.287 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.11 -37.17 69.04 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.757 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.0 t -70.61 -38.05 71.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.668 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 53' ' ' THR . 34.3 mt -62.74 -38.46 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 -176.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.472 ' HH ' ' HG ' ' A' ' 25' ' ' LEU . 6.8 m-85 -98.23 1.27 47.11 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.293 -174.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 53.13 64.12 1.98 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.861 1.264 . . . . 0.0 109.464 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -140.97 147.12 38.25 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.629 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 t -63.81 140.15 97.77 Favored Pre-proline 0 C--N 1.307 -1.277 0 O-C-N 123.641 0.588 . . . . 0.0 109.978 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.51 -34.24 71.47 Favored 'Trans proline' 0 C--N 1.362 1.247 0 C-N-CA 123.15 2.567 . . . . 0.0 111.744 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 m -60.84 -53.35 58.41 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.244 0.618 . . . . 0.0 110.037 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 36.5 t -66.65 -39.43 83.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.727 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.44 -50.27 73.56 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.689 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -60.0 -46.51 89.23 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.511 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.17 -35.58 81.24 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 27.7 mm-40 -59.43 -53.99 51.76 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.9 0.381 . . . . 0.0 110.086 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mp -54.21 -43.47 70.83 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.226 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.3 mt -67.82 -38.53 80.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 m -72.6 -22.95 60.89 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.895 0.378 . . . . 0.0 111.151 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -86.49 -15.72 39.23 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 120.916 0.389 . . . . 0.0 110.026 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.69 22.48 55.76 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.417 ' O ' HD12 ' A' ' 9' ' ' LEU . 24.1 m -101.09 -8.06 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.452 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.2 tp -142.21 152.09 42.77 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -89.17 156.62 18.68 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.65 -16.69 64.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.174 0.989 . . . . 0.0 113.177 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -71.9 -27.75 63.04 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.424 0.63 . . . . 0.0 110.431 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.7 -24.24 65.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.794 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -58.1 -23.68 55.74 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.63 0.772 . . . . 0.0 111.478 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.869 -178.121 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.503 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.519 ' O ' ' HA ' ' A' ' 45' ' ' SER . 2.7 mm? -82.01 97.56 8.17 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.187 0.517 . . . . 0.0 111.117 -173.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -89.81 117.22 32.69 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.85 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -112.99 126.86 55.95 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -82.53 115.31 21.46 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.5 mt -78.12 -26.39 47.92 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -73.9 -44.69 54.45 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -70.35 -29.17 65.79 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.99 -29.27 70.18 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.072 177.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.89 -6.68 59.34 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.115 0.484 . . . . 0.0 110.455 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -94.32 -20.48 19.73 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.243 0.544 . . . . 0.0 109.823 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -93.88 134.02 26.84 Favored Pre-proline 0 N--CA 1.434 -1.267 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -20.98 115.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.372 1.774 1 C-N-CA 126.586 4.857 . . . . 0.0 116.728 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.58 -23.25 66.92 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.815 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -75.32 -12.55 60.29 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.525 -0.734 . . . . 0.0 112.105 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -109.43 -47.94 3.32 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.902 0.382 . . . . 0.0 110.545 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -90.9 -11.56 38.79 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -44.57 -57.66 5.05 Favored Glycine 0 N--CA 1.484 1.857 0 N-CA-C 114.986 0.754 . . . . 0.0 114.986 -176.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -48.49 -44.14 30.97 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.968 2.446 . . . . 0.0 112.467 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.8 tp -72.48 -39.19 67.89 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.969 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 96.4 mt-30 -55.57 -42.11 74.25 Favored 'General case' 0 C--O 1.244 0.816 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 27.2 mtm180 -68.52 -51.14 46.36 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.028 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CE2' HD11 ' A' ' 54' ' ' LEU . 82.3 t80 -53.66 -44.94 70.06 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.86 0.864 . . . . 0.0 110.872 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.28 -48.29 79.28 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 123.167 0.587 . . . . 0.0 111.593 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.36 82.25 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.499 0.666 . . . . 0.0 109.992 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.0 m -63.5 -47.05 83.3 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.831 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.6 mm -64.64 -39.93 87.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.224 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.476 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 45.6 mt-30 -64.18 -38.43 91.04 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.487 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.0 m -65.48 -44.36 87.34 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.428 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.07 -36.02 82.63 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -78.25 -17.14 57.08 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.18 31.81 45.98 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.26 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 17.8 t70 -143.67 101.46 3.77 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 123.013 0.525 . . . . 0.0 109.619 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -97.11 83.54 3.36 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.14 -45.66 66.33 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.169 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.55 -26.37 2.3 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 114.985 0.754 . . . . 0.0 114.985 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -87.47 -60.01 2.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 117.453 0.627 . . . . 0.0 110.095 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 m -133.22 168.0 25.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.964 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.5 tp -135.77 150.82 49.6 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 41.2 m -140.49 110.47 6.51 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.95 175.12 2.42 Favored 'Isoleucine or valine' 0 C--O 1.25 1.098 0 CA-C-O 121.122 0.487 . . . . 0.0 110.912 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -85.65 163.98 17.96 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.21 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 67.2 mt-30 -64.04 -34.43 78.0 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.91 0.862 . . . . 0.0 109.134 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.04 -34.81 78.86 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.046 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -74.54 -36.96 63.15 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.43 -30.46 71.24 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.419 0.628 . . . . 0.0 109.829 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 82.0 mtt180 -65.63 -33.4 75.82 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.043 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.463 ' O ' HG13 ' A' ' 57' ' ' ILE . 18.6 m -65.87 -39.62 90.85 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.372 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' A' ' 28' ' ' TYR . 10.2 mp -60.51 -39.24 87.06 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.12 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.95 -28.63 70.21 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.579 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -79.26 -35.66 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 53' ' ' THR . 47.0 mt -62.42 -48.97 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-O 121.486 0.66 . . . . 0.0 109.972 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -91.23 -2.17 57.53 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.392 -174.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.5 t70 50.34 67.44 0.92 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.362 1.465 . . . . 0.0 111.661 -176.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -139.63 173.5 11.47 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.068 -1.424 . . . . 0.0 108.35 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.7 p -90.01 144.95 32.14 Favored Pre-proline 0 C--N 1.299 -1.63 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.55 -31.35 58.78 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.815 2.343 . . . . 0.0 112.128 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.7 t -61.81 -56.77 15.99 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.4 p -72.24 -26.02 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.495 0.664 . . . . 0.0 110.404 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.483 ' O ' HD22 ' A' ' 69' ' ' LEU . 3.5 tm? -63.15 -49.96 72.28 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.0 m -64.45 -34.74 78.9 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.628 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.5 -48.3 77.48 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.751 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -62.44 -51.76 66.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.201 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 65' ' ' LEU . 4.4 mm? -55.71 -43.6 76.67 Favored 'General case' 0 C--O 1.249 1.026 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.2 mt -73.22 -37.49 52.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.77 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -66.05 -24.42 66.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 36.3 m0 -82.92 -15.71 50.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.048 0.452 . . . . 0.0 110.169 176.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.18 15.96 80.33 Favored Glycine 0 CA--C 1.499 -0.958 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.013 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.8 m -93.19 -24.76 5.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.2 tp -111.98 149.41 32.02 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.88 143.77 43.67 Favored 'General case' 0 C--N 1.308 -1.23 0 O-C-N 123.92 0.763 . . . . 0.0 110.337 -177.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.94 -24.12 63.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -176.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -85.57 -27.1 25.75 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.0 0.428 . . . . 0.0 111.81 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.65 38.84 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.436 1.094 . . . . 0.0 112.823 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -64.68 -20.94 66.6 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.178 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 . . . . . 0 N--CA 1.469 0.514 0 CA-C-O 121.236 0.541 . . . . 0.0 110.807 -177.745 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm . . . . . 0 CA--C 1.499 -1.002 0 CA-C-O 121.214 0.53 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.4 ' HG ' ' HB2' ' A' ' 51' ' ' LEU . 2.8 mm? -89.44 97.22 11.07 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.699 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.2 t -103.65 112.73 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.023 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.7 tp -90.69 108.23 19.68 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 11.5 t70 -72.37 105.81 4.25 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.3 mt -75.83 -25.91 56.71 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.455 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -67.39 -46.63 72.68 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.9 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -70.4 -33.62 71.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.091 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -61.58 -36.59 81.09 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.667 -178.575 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.93 -9.51 52.31 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.929 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 m -104.1 -0.77 28.25 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.041 0.924 . . . . 0.0 109.463 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.4 t -88.93 136.47 30.62 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -46.06 124.13 7.07 Favored 'Trans proline' 0 C--O 1.252 1.22 0 C-N-CA 123.1 2.533 . . . . 0.0 112.416 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.96 -18.3 56.4 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.874 0.87 . . . . 0.0 111.623 -177.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.7 -27.18 66.21 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.198 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -117.18 -31.24 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.17 0.51 . . . . 0.0 110.617 177.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.74 -17.06 54.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.54 -65.55 2.54 Favored Glycine 0 CA--C 1.534 1.25 0 N-CA-C 115.217 0.847 . . . . 0.0 115.217 -176.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -68.2 -20.69 43.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 122.148 1.899 . . . . 0.0 111.707 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.0 tp -71.43 -44.87 64.03 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.686 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -65.12 -38.15 89.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.762 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 2.5 mmp_? -60.8 -47.56 85.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.548 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -55.68 -65.06 0.66 Allowed 'General case' 0 CA--C 1.498 -1.023 0 CA-C-O 121.684 0.754 . . . . 0.0 110.065 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.3 -46.17 17.89 Favored 'General case' 0 C--N 1.28 -2.453 0 CA-C-N 113.253 -1.794 . . . . 0.0 113.191 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.93 -46.37 68.41 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 122.309 -0.245 . . . . 0.0 110.934 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.9 m -62.63 -43.49 98.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.707 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 mm -59.1 -48.43 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.041 0 O-C-N 123.167 0.292 . . . . 0.0 110.344 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.88 -32.75 74.37 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.9 m -69.59 -39.4 77.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.014 0.435 . . . . 0.0 110.08 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -71.94 -35.52 69.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 109.85 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.417 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . 5.5 mmm180 -73.0 -27.7 61.93 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.748 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.78 -41.62 2.99 Favored Glycine 0 C--N 1.307 -1.052 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' OD1' ' HB3' ' A' ' 36' ' ' ARG . 11.8 p-10 -85.55 98.87 10.88 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 122.319 1.057 . . . . 0.0 112.259 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -93.72 107.14 19.05 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -72.84 -51.79 17.43 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.79 -46.37 2.51 Favored Glycine 0 N--CA 1.439 -1.163 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.986 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -74.52 -53.87 8.63 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 121.692 0.758 . . . . 0.0 109.934 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.6 m -138.13 174.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.2 tp -143.89 124.51 14.07 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.3 t -101.33 111.57 23.83 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.511 ' HB ' ' CB ' ' A' ' 50' ' ' ASP . 33.3 pt -110.69 164.41 6.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.259 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -78.42 174.35 11.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.902 0.382 . . . . 0.0 110.363 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -68.41 -31.73 71.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 174.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.45 -37.45 87.57 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.926 -1.488 . . . . 0.0 110.724 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.511 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 9.2 m-20 -69.39 -38.7 78.09 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.083 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.4 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 44.8 tp -55.83 -43.18 76.73 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.503 0.668 . . . . 0.0 109.885 177.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.464 ' O ' HG22 ' A' ' 56' ' ' VAL . 79.6 mtp180 -66.05 -35.03 79.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.641 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.447 ' O ' HG13 ' A' ' 57' ' ' ILE . 87.7 m -61.96 -41.37 97.91 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.626 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.7 mp -55.15 -45.49 75.68 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.17 0.51 . . . . 0.0 110.592 176.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -33.83 75.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.361 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 52' ' ' ARG . 59.4 t -70.85 -34.91 57.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.349 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 53' ' ' THR . 49.5 mt -61.18 -44.29 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.571 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -96.36 -3.27 44.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.222 -173.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 55.85 64.78 1.63 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.924 1.345 . . . . 0.0 109.914 -172.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -124.71 156.98 36.75 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 113.693 -1.594 . . . . 0.0 108.31 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 m -87.23 131.56 44.05 Favored Pre-proline 0 C--N 1.28 -2.454 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 176.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -46.35 -33.36 12.3 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 123.954 3.103 . . . . 0.0 114.474 -176.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.636 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 24.1 m -57.9 -49.99 74.85 Favored 'General case' 0 C--O 1.204 -1.304 0 O-C-N 123.439 0.462 . . . . 0.0 110.745 177.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.69 -29.51 23.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.329 0.585 . . . . 0.0 109.681 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.82 -44.8 93.84 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.801 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.471 ' O ' HG13 ' A' ' 70' ' ' ILE . 13.3 p -67.24 -41.96 84.76 Favored 'General case' 0 N--CA 1.408 -2.566 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.684 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' A' ' 63' ' ' SER . 4.6 mm-40 -59.51 -41.85 90.84 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 123.909 0.755 . . . . 0.0 109.873 -177.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -55.77 -55.6 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.054 0.542 . . . . 0.0 110.832 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD23 ' CZ3' ' A' ' 72' ' ' TRP . 92.3 mt -61.75 -36.23 80.4 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.81 -177.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 66' ' ' THR . 80.6 mt -67.84 -43.64 85.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.1 m -66.36 -28.06 68.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.263 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.501 ' CZ3' HD23 ' A' ' 69' ' ' LEU . 40.3 m0 -80.46 -16.62 53.91 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.614 0.721 . . . . 0.0 109.665 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.28 23.68 31.17 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.746 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.72 -47.25 12.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-O 121.196 0.522 . . . . 0.0 110.603 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 36.0 tp -109.44 159.06 17.35 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.572 -175.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -100.86 156.31 17.44 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.0 -20.1 65.66 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.358 0.663 . . . . 0.0 111.985 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -57.03 -34.58 68.34 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.568 0.747 . . . . 0.0 110.629 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.66 -24.75 67.92 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.109 -0.95 . . . . 0.0 113.019 -177.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.4 mtp-105 -63.88 -23.6 67.41 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.128 0.489 . . . . 0.0 110.314 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 . . . . . 0 C--O 1.212 -0.89 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.955 179.751 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt . . . . . 0 C--O 1.251 1.135 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.4 mt -92.3 115.99 28.57 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.948 -172.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.1 t -93.79 114.05 29.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.156 -177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.2 tp -101.9 124.13 47.0 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -91.09 113.91 26.3 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.7 mt -80.18 -19.41 47.16 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.748 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -80.77 -41.46 23.41 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.968 0.89 . . . . 0.0 108.685 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.74 -38.63 91.63 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.508 -1.223 . . . . 0.0 107.759 176.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.6 -28.76 69.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.223 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.51 -12.25 60.0 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -97.53 -1.46 43.95 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-O 121.845 0.831 . . . . 0.0 108.993 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.6 t -97.67 128.57 33.91 Favored Pre-proline 0 C--N 1.313 -1.002 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -36.76 130.98 0.45 Allowed 'Trans proline' 0 C--O 1.254 1.29 0 C-N-CA 124.631 3.554 . . . . 0.0 113.864 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.7 -18.69 55.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.433 -176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -63.78 -35.85 81.95 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.323 0.582 . . . . 0.0 109.566 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -98.85 -46.18 5.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.449 0.642 . . . . 0.0 109.734 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.15 -8.98 58.36 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.61 -66.72 2.61 Favored Glycine 0 N--CA 1.472 1.066 0 N-CA-C 114.192 0.437 . . . . 0.0 114.192 -176.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.89 -24.36 74.26 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.361 2.041 . . . . 0.0 111.986 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 23.0 tp -71.43 -46.29 60.46 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -62.76 -38.96 92.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.408 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -60.76 -47.61 85.54 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.816 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -71.4 -34.17 70.13 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.006 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.79 95.84 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.59 0.356 . . . . 0.0 110.496 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.22 92.33 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.59 0.709 . . . . 0.0 109.725 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.6 m -63.41 -40.27 96.73 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.302 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.51 -40.21 87.48 Favored 'Isoleucine or valine' 0 C--O 1.246 0.903 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.516 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.26 -39.26 89.7 Favored 'General case' 0 C--O 1.208 -1.111 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.551 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.6 t -62.52 -43.14 99.54 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -56.99 -50.22 73.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.244 0.545 . . . . 0.0 111.02 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -79.96 -10.65 59.79 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.3 34.74 90.73 Favored Glycine 0 CA--C 1.516 0.145 0 N-CA-C 108.701 -1.759 . . . . 0.0 108.701 -172.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -85.81 149.3 25.35 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.426 -0.887 . . . . 0.0 110.465 -172.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -136.04 20.93 3.24 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.94 -173.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -73.71 -65.92 0.77 Allowed 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.758 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.12 -16.02 18.86 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.354 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -98.48 -62.3 1.26 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.052 0.453 . . . . 0.0 109.977 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.39 140.26 46.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.3 tp -120.88 127.36 51.8 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.1 t -95.4 118.9 32.97 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.3 pt -124.83 167.61 18.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.709 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -111.94 175.38 5.45 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.333 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -65.91 -30.9 71.57 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -69.28 -27.13 65.14 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -73.43 -57.07 4.26 Favored 'General case' 0 CA--C 1.485 -1.525 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.3 tp -57.46 -35.5 70.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.118 -174.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -65.37 -29.8 70.55 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.082 0.467 . . . . 0.0 110.75 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.45 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.1 m -72.21 -37.15 69.28 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.584 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.43 -34.0 75.91 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.312 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.04 86.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.92 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.81 -37.44 78.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.867 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 53' ' ' THR . 44.3 mt -65.82 -42.56 92.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.661 -178.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 6.0 m-85 -90.62 -1.45 57.88 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.083 0.468 . . . . 0.0 110.787 -175.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 68.75 48.61 0.76 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.783 1.233 . . . . 0.0 110.876 174.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -134.08 156.67 47.84 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.915 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.0 m -76.58 143.28 71.74 Favored Pre-proline 0 C--N 1.302 -1.458 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -42.47 -40.83 7.56 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 124.142 3.228 . . . . 0.0 114.408 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.6 p -60.4 -52.99 62.88 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-O 121.162 0.506 . . . . 0.0 111.267 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.03 -44.23 97.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 C-N-CA 123.735 0.814 . . . . 0.0 109.421 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.437 ' O ' HD21 ' A' ' 69' ' ' LEU . 3.4 tm? -56.46 -45.66 80.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.747 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.2 m -59.1 -46.2 88.91 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.799 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -64.92 -39.36 93.39 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.739 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.14 -53.43 58.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.437 HD21 ' O ' ' A' ' 65' ' ' LEU . 4.1 mm? -58.04 -41.88 84.19 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.77 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 93.4 mt -71.14 -35.11 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.9 m -65.77 -33.43 75.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.624 0.249 . . . . 0.0 110.939 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -78.5 -13.28 59.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.03 0.443 . . . . 0.0 110.599 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.26 19.18 79.57 Favored Glycine 0 CA--C 1.505 -0.575 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.975 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.8 m -96.0 -25.48 4.38 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.31 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.0 tp -111.84 135.38 52.53 Favored 'General case' 0 N--CA 1.422 -1.875 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -63.37 129.87 42.06 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 123.919 0.762 . . . . 0.0 109.674 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.11 -36.21 18.29 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 124.283 1.033 . . . . 0.0 112.545 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -53.83 -23.98 14.09 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.427 1.091 . . . . 0.0 112.935 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.01 -25.52 58.68 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.179 0.592 . . . . 0.0 112.114 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -23.54 66.62 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.872 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 . . . . . 0 C--O 1.239 0.545 0 CA-C-O 121.088 0.471 . . . . 0.0 111.263 177.625 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm . . . . . 0 CA--C 1.496 -1.129 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.9 mt -108.21 114.64 28.67 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.85 126.11 64.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 CA-C-O 121.356 0.598 . . . . 0.0 111.585 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.1 mt -106.64 123.15 47.69 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.617 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.15 104.02 8.46 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 173.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.39 -26.84 64.84 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.295 0.569 . . . . 0.0 110.465 -178.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.86 -37.55 81.99 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.119 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -75.21 -34.4 61.48 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.92 -31.3 72.35 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.686 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.2 -7.34 53.58 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.234 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -92.38 -13.93 29.41 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 122.116 0.96 . . . . 0.0 108.73 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.9 t -84.22 137.3 39.9 Favored Pre-proline 0 C--N 1.312 -1.04 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.8 135.41 13.6 Favored 'Trans proline' 0 C--N 1.363 1.333 0 C-N-CA 123.34 2.693 . . . . 0.0 112.119 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.16 -18.81 62.05 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 123.656 0.782 . . . . 0.0 112.566 -174.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.42 -40.22 90.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.938 0.399 . . . . 0.0 110.192 175.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -99.51 -35.33 9.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.769 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.37 -35.62 73.63 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.871 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.58 -56.43 22.24 Favored Glycine 0 CA--C 1.534 1.273 0 CA-C-O 119.537 -0.591 . . . . 0.0 114.28 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.65 -30.52 66.42 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 122.84 2.36 . . . . 0.0 112.683 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -83.68 -35.24 24.67 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.864 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.437 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 12.7 mm-40 -63.09 -32.78 74.24 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-O 120.806 0.336 . . . . 0.0 110.958 175.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -61.19 -40.17 92.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.231 0.539 . . . . 0.0 111.139 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.497 ' O ' HG12 ' A' ' 32' ' ' ILE . 51.4 t80 -72.25 -44.47 62.81 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -59.85 -43.74 94.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.93 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.77 84.16 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.653 0.74 . . . . 0.0 110.184 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 75.2 m -69.77 -41.95 74.46 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.277 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 28' ' ' TYR . 51.7 mm -60.2 -46.33 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 98.2 mt-30 -53.34 -56.48 16.39 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.229 0.538 . . . . 0.0 110.396 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.0 p -66.32 -39.11 89.06 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 31' ' ' THR . 80.6 mm-40 -69.51 -30.29 68.11 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 42.5 mtm180 -83.9 -21.62 31.86 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.57 19.27 68.85 Favored Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -176.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -124.37 118.32 26.45 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 123.391 0.676 . . . . 0.0 109.892 -174.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -97.9 104.84 16.91 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -128.25 119.65 25.59 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.95 16.37 23.11 Favored Glycine 0 C--N 1.304 -1.223 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.407 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -60.74 1.47 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.189 0.519 . . . . 0.0 109.936 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 m -136.28 152.9 30.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 tp -134.27 113.33 11.85 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.1 p -93.39 107.44 19.27 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-O 121.753 0.787 . . . . 0.0 110.058 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 pt -104.23 -179.58 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.552 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.74 -175.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -100.72 169.08 9.26 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.78 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -60.69 -30.03 69.68 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.471 175.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.61 -30.96 64.79 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.932 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.443 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 51.3 m-20 -70.19 -47.34 61.96 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.745 -177.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 tp -63.1 -35.99 82.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.425 0.631 . . . . 0.0 109.776 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -64.16 -44.57 91.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.137 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.527 ' O ' HG13 ' A' ' 57' ' ' ILE . 91.7 m -62.81 -38.63 91.46 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.082 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 50' ' ' ASP . 87.6 mt -57.17 -44.9 83.95 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.161 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.09 70.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.987 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.7 t -73.24 -41.21 58.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.929 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 53' ' ' THR . 39.4 mt -62.77 -51.11 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 121.164 0.507 . . . . 0.0 110.619 -178.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -83.49 -10.5 58.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.365 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.5 t70 62.9 59.06 1.42 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.785 1.234 . . . . 0.0 110.133 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -129.99 148.08 51.81 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.121 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m -69.84 142.13 90.59 Favored Pre-proline 0 C--N 1.301 -1.511 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -43.95 -45.54 11.48 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 124.015 3.143 . . . . 0.0 114.527 -176.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.48 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 44.5 t -62.82 -57.1 12.06 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.866 -0.111 . . . . 0.0 111.032 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.415 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 34.3 m -65.44 -33.84 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -176.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.52 -46.53 89.55 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 m -66.41 -37.8 86.03 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.676 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 63' ' ' SER . 38.5 mt-10 -57.64 -45.03 86.0 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.356 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -53.72 -59.82 4.12 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 123.849 0.718 . . . . 0.0 109.742 178.366 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.3 -40.81 78.6 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 98.7 mt -67.1 -41.86 87.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.97 0.414 . . . . 0.0 110.725 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.3 m -70.0 -32.77 71.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.462 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -72.48 -17.49 61.76 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.24 12.68 78.48 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.5 t -83.4 -38.89 14.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.502 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 48.9 tp -118.43 156.08 29.65 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -106.28 175.07 5.62 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.794 -1.162 . . . . 0.0 109.806 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -61.69 -42.76 99.36 Favored 'General case' 0 C--O 1.207 -1.141 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -171.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -47.27 -25.96 1.09 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.006 1.322 . . . . 0.0 114.058 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.42 -31.88 69.68 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.574 0.349 . . . . 0.0 111.767 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 7.3 ptm180 -69.81 -27.92 65.28 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 121.2 0.524 . . . . 0.0 109.725 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? . . . . . 0 C--N 1.321 -0.667 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 179.433 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttm . . . . . 0 N--CA 1.443 -0.793 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.1 108.95 20.21 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.437 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 60.9 t -89.39 112.99 25.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.367 -176.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.8 tp -94.6 104.73 16.67 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.01 107.36 8.16 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -75.6 -28.82 59.05 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.391 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -63.88 -44.67 92.34 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.955 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -70.06 -47.75 60.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.585 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 tp -55.14 -41.52 71.87 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.702 0.801 . . . . 0.0 112.264 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.72 -17.3 64.78 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.0 m -91.52 -16.73 26.76 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-O 121.428 0.633 . . . . 0.0 110.491 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -77.96 129.92 74.48 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -44.6 139.59 7.04 Favored 'Trans proline' 0 C--N 1.366 1.45 0 C-N-CA 123.942 3.094 . . . . 0.0 113.998 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.18 -26.23 62.52 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 124.489 1.116 . . . . 0.0 112.062 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.11 -21.93 66.73 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.791 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -111.17 -52.65 2.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.903 0.382 . . . . 0.0 110.541 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.36 2.13 33.59 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -172.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.95 -60.81 8.25 Favored Glycine 0 N--CA 1.474 1.185 0 N-CA-C 114.448 0.539 . . . . 0.0 114.448 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.87 -22.37 63.29 Favored 'Trans proline' 0 C--O 1.244 0.811 0 C-N-CA 121.85 1.7 . . . . 0.0 111.635 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.0 tp -75.44 -41.51 55.65 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.853 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -62.74 -40.67 97.96 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -60.64 -50.06 75.03 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.224 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.444 ' O ' HG13 ' A' ' 32' ' ' ILE . 3.3 t80 -62.56 -45.16 94.19 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.739 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.35 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.866 0.467 . . . . 0.0 111.244 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.57 71.51 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.202 0.525 . . . . 0.0 110.429 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.415 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 41.1 m -71.85 -40.55 68.96 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.427 -0.806 . . . . 0.0 108.983 177.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 28' ' ' TYR . 62.5 mt -61.7 -41.46 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 176.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.82 -42.09 88.36 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.669 176.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.4 t -64.72 -44.73 89.24 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 31' ' ' THR . 96.1 mt-30 -64.43 -24.05 67.49 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.217 0.607 . . . . 0.0 111.381 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -95.11 -19.66 19.94 Favored 'General case' 0 C--N 1.313 -0.983 0 O-C-N 122.19 -0.319 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.78 40.01 58.88 Favored Glycine 0 C--O 1.238 0.374 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -89.87 142.76 27.39 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.277 -0.961 . . . . 0.0 111.82 -174.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -138.51 10.85 2.73 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.752 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -120.87 46.06 2.11 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.601 1.191 . . . . 0.0 108.052 -174.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.25 54.39 3.56 Favored Glycine 0 N--CA 1.434 -1.498 0 CA-C-N 114.348 -1.296 . . . . 0.0 115.58 -175.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -85.45 -44.38 12.79 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.33 144.75 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.833 0 CA-C-N 113.65 -1.614 . . . . 0.0 106.902 174.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.9 tp -125.19 124.1 41.02 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -84.32 107.28 16.52 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.7 pt -98.57 171.42 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.62 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.51 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -103.57 167.2 9.95 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -174.263 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -64.1 -49.14 73.41 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.482 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 10.6 t70 -67.66 -26.89 66.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.142 177.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -68.73 -46.97 67.51 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.56 -34.84 76.53 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.842 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.482 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 75.4 ttt180 -53.78 -43.95 69.69 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.274 1.029 . . . . 0.0 109.087 173.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.7 m -67.09 -49.93 63.35 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.234 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.07 -45.87 82.92 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.789 0.835 . . . . 0.0 113.036 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.413 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . . . -53.59 -39.86 65.2 Favored 'General case' 0 C--O 1.246 0.877 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.83 -32.78 56.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.399 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.44 -32.2 57.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.123 0.487 . . . . 0.0 109.93 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -101.06 7.5 43.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 -174.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 60.98 28.95 18.71 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.666 0.786 . . . . 0.0 111.649 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -103.26 139.24 38.97 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.613 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.5 t -65.74 135.52 95.57 Favored Pre-proline 0 N--CA 1.424 -1.761 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 172.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -49.57 -40.32 45.94 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.27 2.647 . . . . 0.0 112.135 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 m -60.3 -45.56 92.94 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.419 0.687 . . . . 0.0 110.421 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.5 t -74.88 -46.73 39.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.695 -177.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.413 ' HG ' ' HA ' ' A' ' 55' ' ' ALA . 3.2 tm? -55.81 -53.86 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.414 0.686 . . . . 0.0 110.533 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.457 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.3 m -58.37 -45.91 87.35 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.483 0.489 . . . . 0.0 110.812 -178.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.92 -28.36 65.53 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -61.05 -54.3 46.46 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.19 -41.17 87.88 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.433 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 66' ' ' THR . 91.9 mt -61.28 -46.15 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 176.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -65.67 -34.08 77.38 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -70.24 -16.97 63.11 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.977 0.894 . . . . 0.0 109.864 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.43 35.98 6.74 Favored Glycine 0 CA--C 1.483 -1.93 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.4 t -93.4 -48.06 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 CA-C-N 114.647 -0.776 . . . . 0.0 110.175 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 2.5 pt? -131.92 173.76 10.86 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.33 156.08 33.63 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.881 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.46 -12.89 60.95 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 124.168 0.987 . . . . 0.0 113.545 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.434 ' HA ' ' NH2' ' A' ' 81' ' ' ARG . 26.9 t70 -70.25 -19.61 63.11 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.01 0.524 . . . . 0.0 111.961 -177.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.48 -25.4 0.26 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -59.72 -29.88 68.43 Favored 'General case' 0 C--O 1.246 0.911 0 O-C-N 122.227 -0.296 . . . . 0.0 110.415 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.434 ' NH2' ' HA ' ' A' ' 78' ' ' ASP . 2.8 mpp_? . . . . . 0 C--O 1.213 -0.817 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.7 mttp . . . . . 0 N--CA 1.435 -1.212 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.5 mt -98.38 118.07 34.23 Favored 'General case' 0 C--N 1.286 -2.16 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -89.25 112.7 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.585 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.6 tp -93.84 121.98 35.85 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -81.52 109.2 15.75 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 41' ' ' GLY . 76.4 mt -80.02 -17.56 52.48 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.677 -175.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.26 -43.08 64.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.2 mmm180 -65.63 -39.63 91.67 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.367 174.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.54 -32.71 74.25 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.378 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.5 -22.73 54.1 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.543 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.41 -25.59 20.31 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.964 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 13' ' ' ARG . 96.9 t -68.12 129.24 93.11 Favored Pre-proline 0 C--O 1.241 0.639 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -45.93 137.94 12.54 Favored 'Trans proline' 0 C--O 1.261 1.648 0 C-N-CA 123.61 2.873 . . . . 0.0 113.664 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.28 -17.3 52.88 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.881 1.273 . . . . 0.0 111.847 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -50.1 -44.93 52.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -106.12 -49.4 3.38 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.387 -174.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.55 -7.52 57.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.77 -65.09 3.67 Favored Glycine 0 N--CA 1.473 1.119 0 N-CA-C 114.271 0.468 . . . . 0.0 114.271 -175.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -60.15 -26.13 81.73 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.575 2.183 . . . . 0.0 112.41 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.71 -39.11 67.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.915 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.79 -38.17 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.277 0.56 . . . . 0.0 109.516 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -70.95 -37.66 72.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.728 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -59.28 -46.4 88.64 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -61.6 -46.62 89.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.244 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.1 72.71 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.303 0.641 . . . . 0.0 110.813 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 85.6 m -63.32 -45.47 91.14 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.907 177.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.53 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 56.2 mt -63.25 -49.31 83.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 27.5 mt-30 -51.7 -53.8 35.2 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.91 0.884 . . . . 0.0 111.498 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 p -63.16 -37.76 88.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.559 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 31' ' ' THR . 28.2 mt-30 -65.96 -41.88 90.68 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 120.592 0.235 . . . . 0.0 110.878 178.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 22.9 mmt180 -77.15 -21.12 54.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.306 0.574 . . . . 0.0 110.492 -177.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.17 23.15 66.59 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -113.03 112.16 23.4 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 115.145 -0.528 . . . . 0.0 110.966 -176.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -100.97 71.91 1.45 Allowed 'General case' 0 N--CA 1.424 -1.771 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 172.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -78.95 -37.93 38.37 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 113.922 -1.49 . . . . 0.0 109.07 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . 68.54 -45.63 0.38 Allowed Glycine 0 C--O 1.21 -1.405 0 N-CA-C 117.943 1.937 . . . . 0.0 117.943 166.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.8 -37.9 67.4 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 117.77 0.785 . . . . 0.0 112.271 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.7 m -144.85 173.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.5 tp -151.09 140.63 21.59 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -95.73 111.46 23.4 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 pt -115.49 161.53 14.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -91.37 169.33 10.89 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 44.6 mt-30 -67.46 -29.7 69.23 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.038 0.923 . . . . 0.0 108.519 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.22 -28.57 62.24 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.276 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' HD12 ' A' ' 54' ' ' LEU . 11.7 m-20 -63.4 -44.53 94.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 174.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -53.71 -44.4 69.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.177 0.991 . . . . 0.0 109.284 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 43.4 mtp-105 -66.24 -35.38 80.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.073 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.449 ' O ' HG13 ' A' ' 57' ' ' ILE . 31.1 m -69.08 -39.87 78.8 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.079 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 50' ' ' ASP . 8.0 mp -54.05 -43.35 70.15 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.298 0.639 . . . . 0.0 111.317 176.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.89 -36.78 75.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.959 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.93 -42.45 79.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 53' ' ' THR . 42.5 mt -61.92 -48.25 89.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.17 -177.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -90.86 3.81 53.48 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.684 -0.407 . . . . 0.0 111.323 -173.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 57.37 62.52 2.14 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.93 0.892 . . . . 0.0 110.737 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -135.8 171.05 15.02 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.619 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.3 m -92.04 144.36 29.05 Favored Pre-proline 0 C--N 1.296 -1.728 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -51.79 -38.13 66.73 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.862 2.375 . . . . 0.0 112.228 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 5.9 m -58.11 -57.28 13.53 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.681 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.48 -27.15 35.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 121.037 0.446 . . . . 0.0 110.761 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 1.9 tm? -66.17 -40.49 90.54 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 m -67.44 -43.36 81.33 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 63' ' ' SER . 46.1 mt-10 -55.86 -51.61 66.92 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.155 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -57.17 -53.37 58.83 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 123.695 0.622 . . . . 0.0 111.281 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 65' ' ' LEU . 22.8 mt -61.04 -40.97 95.63 Favored 'General case' 0 C--O 1.249 1.06 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.65 -39.5 83.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-O 120.59 0.233 . . . . 0.0 110.455 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.4 m -68.72 -33.95 74.8 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -76.26 -17.54 59.43 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.34 0.59 . . . . 0.0 109.786 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.54 7.27 72.3 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.847 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.416 HG13 ' CB ' ' A' ' 13' ' ' ARG . 23.3 m -81.07 -19.23 11.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.135 0.493 . . . . 0.0 109.72 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.1 tp -129.83 146.09 51.57 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -77.96 151.29 33.75 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -59.9 -31.42 69.79 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.67 -20.76 36.01 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 118.246 0.475 . . . . 0.0 112.21 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.62 -29.84 71.03 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.031 -0.532 . . . . 0.0 112.095 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 7.5 ptm180 -60.9 -34.84 75.28 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.813 0.816 . . . . 0.0 109.968 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 . . . . . 0 N--CA 1.431 -1.377 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.029 -178.894 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm . . . . . 0 N--CA 1.426 -1.641 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.12 114.91 11.82 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.663 -175.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.5 t -89.47 122.69 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.292 -177.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.4 mt -106.89 127.07 53.11 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.568 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -79.32 115.26 18.86 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.5 mt -80.37 -25.47 39.14 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -174.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -79.18 -34.8 42.71 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.132 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.459 ' O ' HG22 ' A' ' 17' ' ' VAL . 1.2 tpp180 -65.89 -38.48 88.87 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.5 tp -57.62 -40.31 78.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.773 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.65 -21.55 63.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.959 0.409 . . . . 0.0 111.566 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.9 p -94.36 10.41 34.4 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.369 0.604 . . . . 0.0 111.666 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 13' ' ' ARG . 94.3 t -101.13 136.0 19.8 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -38.42 134.86 0.75 Allowed 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 124.781 3.654 . . . . 0.0 114.365 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.14 -22.94 63.48 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.335 1.054 . . . . 0.0 112.789 -176.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.77 -33.39 74.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.618 0.723 . . . . 0.0 110.274 177.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -97.85 -53.8 3.29 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.495 -176.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -91.97 -8.72 45.38 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.16 -58.92 10.94 Favored Glycine 0 N--CA 1.47 0.955 0 O-C-N 123.423 0.452 . . . . 0.0 112.973 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -58.0 -34.12 98.03 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.162 1.908 . . . . 0.0 111.752 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.5 tp -71.94 -28.7 63.63 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.724 -177.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 72.9 mm-40 -58.43 -48.06 81.92 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 175.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -62.21 -51.08 69.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.791 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.478 ' CE2' HD13 ' A' ' 32' ' ' ILE . 84.0 t80 -54.53 -53.84 49.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.793 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.64 99.16 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.446 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.2 77.57 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.989 0.423 . . . . 0.0 111.054 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.6 m -66.91 -44.04 81.78 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.776 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.478 HD13 ' CE2' ' A' ' 28' ' ' TYR . 74.2 mt -56.52 -47.72 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 O-C-N 123.462 0.476 . . . . 0.0 109.725 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -59.46 -57.06 14.64 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.381 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -53.86 -42.89 69.07 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.063 0.945 . . . . 0.0 111.804 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -67.31 -34.02 76.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.903 0.383 . . . . 0.0 111.989 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -91.24 7.02 42.82 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.31 9.09 48.67 Favored Glycine 0 C--N 1.32 -0.333 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.551 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 78.49 139.47 0.07 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.5 1.52 . . . . 0.0 112.428 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -134.6 -177.03 4.42 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.88 -177.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.47 ' C ' ' H ' ' A' ' 42' ' ' LYS . 88.1 m-20 -71.35 116.96 12.29 Favored 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.85 21.75 0.59 Allowed Glycine 0 C--N 1.296 -1.682 0 CA-C-N 115.414 -0.812 . . . . 0.0 114.529 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 40' ' ' ASN . 50.8 mtmt -100.58 -49.55 4.17 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 123.631 0.772 . . . . 0.0 109.723 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.4 m -140.49 142.82 30.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.323 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 53.8 tp -122.54 154.86 37.33 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 m -135.36 127.78 30.43 Favored 'General case' 0 C--N 1.31 -1.146 0 O-C-N 122.034 -0.417 . . . . 0.0 110.781 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 pp -137.97 176.49 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 122.824 0.45 . . . . 0.0 111.334 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -94.74 167.61 11.34 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.584 0.707 . . . . 0.0 112.111 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -57.34 -38.06 73.54 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.587 -1.188 . . . . 0.0 113.174 -175.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -76.46 -23.72 53.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.631 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -77.17 -42.85 36.04 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.5 tp -64.43 -28.6 69.79 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.203 0.525 . . . . 0.0 110.941 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -67.31 -22.23 65.63 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.95 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.541 ' O ' HG13 ' A' ' 57' ' ' ILE . 22.9 m -61.48 -31.85 71.84 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.595 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.44 -34.86 76.13 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.027 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.19 -33.6 76.39 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.589 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.6 t -75.26 -38.5 41.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.23 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 53' ' ' THR . 48.6 mt -61.54 -50.69 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.793 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.0 -1.83 58.23 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.317 -175.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 53.54 66.16 1.31 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.491 1.138 . . . . 0.0 111.808 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -142.54 167.3 22.41 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 113.774 -1.557 . . . . 0.0 108.212 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.0 t -83.59 147.85 53.5 Favored Pre-proline 0 C--N 1.303 -1.428 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.86 -29.98 45.59 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 123.172 2.581 . . . . 0.0 112.156 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m -56.59 -45.95 81.11 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.189 0.996 . . . . 0.0 112.139 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.5 -28.11 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.216 0.531 . . . . 0.0 109.978 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -64.4 -54.77 27.49 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.052 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 t -63.3 -34.66 78.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.94 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.45 -37.28 86.97 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.852 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -63.88 -54.25 37.74 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 110.617 -0.142 . . . . 0.0 110.617 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.03 -41.39 71.29 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 123.396 0.435 . . . . 0.0 111.974 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.9 mt -72.23 -37.5 59.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.596 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.5 p -68.81 -28.45 66.76 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.811 -0.555 . . . . 0.0 112.001 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.7 m0 -80.82 -16.73 52.97 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-O 121.014 0.435 . . . . 0.0 110.46 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.58 16.18 71.59 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.199 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.1 t -82.92 -36.38 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.4 tp -116.45 144.31 44.47 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -67.55 144.3 55.69 Favored 'General case' 0 C--O 1.241 0.646 0 O-C-N 123.776 0.672 . . . . 0.0 110.598 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.02 -33.97 69.54 Favored 'General case' 0 C--O 1.197 -1.698 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.9 -20.29 33.29 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.62 -24.34 60.82 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.159 0.584 . . . . 0.0 111.82 -178.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 80' ' ' ARG . 12.7 ptm180 -50.59 -31.52 16.15 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.531 1.132 . . . . 0.0 111.958 176.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.684 0.278 . . . . 0.0 111.266 -176.335 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? . . . . . 0 N--CA 1.433 -1.28 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 45' ' ' SER . 67.8 mt -85.11 96.74 9.54 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.253 -175.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.8 t -99.46 112.66 32.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -99.55 129.27 45.7 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.8 t70 -85.25 106.59 16.78 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 mt -75.55 -17.55 60.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.107 -174.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -73.47 -42.65 61.63 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' O ' HG22 ' A' ' 17' ' ' VAL . 31.1 tpt180 -61.67 -32.88 73.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.255 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.33 -12.34 61.58 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.455 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.73 -29.36 32.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.994 0.426 . . . . 0.0 110.056 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p -88.72 -10.61 47.77 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.31 0.576 . . . . 0.0 111.961 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 13' ' ' ARG . 97.2 t -91.3 132.05 34.93 Favored Pre-proline 0 C--N 1.312 -1.034 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 175.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.06 140.95 6.84 Favored 'Trans proline' 0 C--O 1.253 1.247 0 C-N-CA 123.559 2.84 . . . . 0.0 113.864 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -17.74 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.157 0.983 . . . . 0.0 111.687 -177.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -75.24 -12.32 60.26 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.52 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -113.17 -53.07 2.74 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.95 -7.62 36.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -173.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.503 ' O ' ' HG2' ' A' ' 27' ' ' ARG . . . -59.77 -61.86 6.75 Favored Glycine 0 C--N 1.314 -0.648 0 CA-C-O 119.513 -0.604 . . . . 0.0 113.61 -177.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.42 -22.89 65.53 Favored 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 121.973 1.782 . . . . 0.0 111.81 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.521 ' HB2' ' OH ' ' A' ' 58' ' ' TYR . 4.1 tt -70.57 -46.49 63.4 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 177.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -64.63 -31.42 72.64 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.417 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 35.3 mmt180 -61.32 -50.3 73.53 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 175.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.437 ' O ' HG12 ' A' ' 32' ' ' ILE . 52.5 t80 -56.83 -48.22 78.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.424 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.09 -50.9 71.36 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.363 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.8 83.58 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.444 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 68.1 m -61.95 -46.9 87.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.65 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.463 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 49.4 mm -59.53 -45.26 94.06 Favored 'Isoleucine or valine' 0 C--O 1.249 1.054 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -57.78 -54.51 46.03 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 123.728 0.642 . . . . 0.0 110.257 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 p -67.91 -31.94 72.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 31' ' ' THR . 81.6 mm-40 -65.65 -41.67 92.3 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.537 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 6.3 ptm180 -88.52 -12.09 43.87 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.008 177.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.67 29.93 74.29 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.691 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -98.01 -170.53 1.99 Allowed 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.162 -176.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -122.36 -178.75 3.97 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -171.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.8 t30 72.41 90.26 0.09 Allowed 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.227 0.955 . . . . 0.0 112.189 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.44 30.41 9.91 Favored Glycine 0 N--CA 1.434 -1.461 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.095 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -95.95 -29.45 14.15 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.096 0.474 . . . . 0.0 109.796 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.5 m -143.38 138.37 26.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 123.938 0.895 . . . . 0.0 109.577 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.5 tp -124.79 124.2 41.62 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 18.8 m -101.52 110.13 22.07 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.444 ' HB ' ' CB ' ' A' ' 50' ' ' ASP . 38.5 pt -105.73 171.3 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -98.73 -178.95 4.14 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.252 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -60.73 -49.96 75.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.664 0.785 . . . . 0.0 111.672 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -69.21 -21.75 63.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.424 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.444 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 78.9 m-20 -70.13 -45.93 65.84 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.382 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.5 tp -60.02 -38.43 82.65 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.744 0.783 . . . . 0.0 109.477 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.2 mtp180 -61.67 -44.3 97.22 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.679 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.3 m -64.83 -34.91 79.49 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.221 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.14 -37.61 83.46 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.115 0.483 . . . . 0.0 111.151 174.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.7 81.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.137 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 52' ' ' ARG . 65.9 t -67.7 -30.13 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.506 -177.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.8 mt -59.16 -41.62 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-O 121.628 0.728 . . . . 0.0 109.475 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.521 ' OH ' ' HB2' ' A' ' 25' ' ' LEU . 7.8 m-85 -97.15 -0.56 46.74 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.663 -175.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 63.52 31.99 14.48 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 122.128 0.966 . . . . 0.0 110.562 -176.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -103.5 166.73 10.25 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.404 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.5 t -89.2 142.88 30.3 Favored Pre-proline 0 C--N 1.29 -2.013 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -54.1 -27.5 46.48 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.459 2.773 . . . . 0.0 113.429 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.7 m -64.44 -56.68 12.63 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 122.53 0.332 . . . . 0.0 111.365 -178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.35 -26.35 31.33 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 121.609 0.719 . . . . 0.0 109.971 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.4 tm? -65.25 -53.61 41.78 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.706 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.6 t -65.64 -31.92 73.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.316 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -63.92 -44.71 92.08 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 123.114 0.259 . . . . 0.0 110.912 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.85 -46.53 84.6 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.817 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 65' ' ' LEU . 3.5 mm? -52.84 -42.55 65.29 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.862 0.465 . . . . 0.0 112.222 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.2 mt -75.25 -36.56 37.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 120.902 0.382 . . . . 0.0 110.336 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.8 t -73.44 -30.41 63.18 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 45.1 m0 -73.1 -16.65 61.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.322 0.582 . . . . 0.0 109.509 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.95 25.12 46.4 Favored Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.583 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.9 p -101.23 -31.71 3.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 O-C-N 122.612 -0.346 . . . . 0.0 110.919 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -109.92 146.43 35.19 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.13 148.94 51.19 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.228 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.31 96.48 Favored 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 123.279 0.631 . . . . 0.0 112.378 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.85 -20.03 63.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.421 0.689 . . . . 0.0 111.894 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.18 -23.82 56.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.529 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -43.17 -31.46 0.59 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.331 1.452 . . . . 0.0 112.838 176.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 . . . . . 0 C--O 1.222 -0.392 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -175.673 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm . . . . . 0 N--CA 1.433 -1.286 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.5 mt -107.53 140.82 39.93 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.342 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -97.94 119.98 46.68 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.754 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.8 tp -103.34 126.19 50.37 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -85.52 115.11 23.04 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.05 -28.77 60.53 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -174.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -78.93 -38.21 37.87 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -67.73 -33.81 75.62 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.55 -40.86 88.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.296 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.72 -9.08 58.22 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.601 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 m -92.83 -8.0 44.77 Favored 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 122.051 0.929 . . . . 0.0 109.047 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.9 t -86.87 140.19 33.05 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.392 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -45.01 141.04 6.62 Favored 'Trans proline' 0 CA--C 1.554 1.517 0 C-N-CA 123.828 3.019 . . . . 0.0 113.385 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.43 63.3 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.198 1.399 . . . . 0.0 113.901 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -69.42 -7.13 34.91 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -123.31 -37.92 2.63 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.079 0.466 . . . . 0.0 110.295 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 -39.79 37.87 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.68 -62.24 3.37 Favored Glycine 0 N--CA 1.475 1.287 0 N-CA-C 115.029 0.772 . . . . 0.0 115.029 -173.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.32 -32.93 97.17 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.514 2.143 . . . . 0.0 112.535 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.1 tp -78.17 -33.04 50.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.546 -178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -66.41 -37.68 85.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -62.25 -48.35 80.36 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.174 174.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.469 ' O ' HG12 ' A' ' 32' ' ' ILE . 37.3 t80 -55.22 -50.55 69.13 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.969 0.793 . . . . 0.0 109.303 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -58.23 -46.92 85.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.95 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.48 79.66 Favored 'General case' 0 C--O 1.247 0.956 0 C-N-CA 122.729 0.412 . . . . 0.0 110.956 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.8 m -64.64 -48.08 76.15 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 28' ' ' TYR . 46.6 mm -56.63 -51.2 69.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 C-N-CA 123.21 0.604 . . . . 0.0 110.934 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.4 mm100 -51.94 -45.81 64.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.606 0.762 . . . . 0.0 110.521 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 m -74.16 -46.16 44.12 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.999 -1.001 . . . . 0.0 112.979 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.441 HE21 HD13 ' A' ' 32' ' ' ILE . 30.0 pt20 -75.27 -30.13 60.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -83.07 -26.29 31.25 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.005 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.27 26.36 36.79 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -127.63 93.46 3.71 Favored 'General case' 0 CA--C 1.489 -1.38 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.175 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -87.44 74.21 9.4 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -81.59 109.99 16.54 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.61 -53.1 47.72 Favored Glycine 0 C--N 1.299 -1.497 0 N-CA-C 117.002 1.561 . . . . 0.0 117.002 -170.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.412 ' HG3' HG13 ' A' ' 43' ' ' VAL . 22.4 tptm -82.83 -50.99 8.06 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 117.644 0.722 . . . . 0.0 112.748 -173.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.412 HG13 ' HG3' ' A' ' 42' ' ' LYS . 35.6 m -127.76 166.19 25.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 CA-C-O 121.011 0.434 . . . . 0.0 111.186 -175.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.498 HD11 ' OE1' ' A' ' 33' ' ' GLN . 51.1 tp -133.84 128.55 34.91 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.0 p -103.89 118.49 36.81 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.439 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.3 pt -119.79 170.38 9.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -102.71 179.31 4.32 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.5 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.45 ' NE2' ' H ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -68.58 -23.83 64.53 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.32 177.324 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.457 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 5.3 p-10 -71.72 -27.15 62.81 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -76.44 -44.43 35.81 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 tp -56.15 -47.3 78.46 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.379 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -59.53 -38.31 80.68 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 121.226 0.536 . . . . 0.0 110.101 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.527 ' O ' HG13 ' A' ' 57' ' ' ILE . 87.3 m -67.46 -34.18 76.65 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.874 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 99.1 mt -59.12 -42.75 91.31 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.071 0.462 . . . . 0.0 109.912 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.34 -32.51 73.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.56 -43.01 41.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.457 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 53' ' ' THR . 38.9 mt -71.9 -42.66 69.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.703 -176.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -90.46 -0.7 57.76 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.885 -175.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 48.02 68.3 0.69 Allowed 'General case' 0 C--O 1.244 0.799 0 C-N-CA 125.926 1.69 . . . . 0.0 112.804 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -138.54 144.42 39.91 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 m -63.12 137.45 97.07 Favored Pre-proline 0 C--N 1.288 -2.099 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -45.42 -40.01 17.14 Favored 'Trans proline' 0 N--CA 1.486 1.051 0 C-N-CA 123.93 3.087 . . . . 0.0 114.565 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -61.64 -57.07 13.46 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.228 0.211 . . . . 0.0 110.795 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.434 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 14.6 p -66.95 -30.05 48.31 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.136 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.35 -50.19 74.52 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 m -63.32 -40.55 97.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.964 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -59.7 -44.44 93.67 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.211 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 15.1 mm-40 -55.92 -55.34 33.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.031 0.532 . . . . 0.0 110.537 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.54 -41.52 76.95 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.374 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.2 mt -68.09 -40.55 83.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.69 177.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.9 m -66.07 -31.74 72.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.537 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -79.44 -16.69 55.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.02 0.438 . . . . 0.0 110.112 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.14 23.23 61.65 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.2 t -93.24 -24.08 5.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.8 tp -124.79 155.61 39.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.001 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.21 150.13 47.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -71.6 -44.67 64.02 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -59.17 -19.63 46.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.196 1.399 . . . . 0.0 112.604 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.53 -25.03 15.12 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.891 0.877 . . . . 0.0 111.514 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 14.1 ptm180 -56.7 -20.88 24.07 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 123.794 0.838 . . . . 0.0 111.813 176.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 . . . . . 0 C--O 1.243 0.711 0 O-C-N 122.219 -0.301 . . . . 0.0 111.09 -179.798 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp . . . . . 0 N--CA 1.436 -1.14 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.1 mt -96.05 107.4 19.7 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.08 113.69 26.06 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 CA-C-O 121.476 0.655 . . . . 0.0 111.306 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 tp -94.98 111.56 23.34 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.15 114.65 17.23 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.9 mt -72.27 -37.76 68.98 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 123.249 0.62 . . . . 0.0 111.386 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -75.63 -42.58 51.2 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.185 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' O ' HG22 ' A' ' 17' ' ' VAL . 22.3 tpt180 -64.69 -40.2 94.96 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD21 ' HG ' ' A' ' 25' ' ' LEU . 52.8 tp -63.38 -30.63 71.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.071 0.462 . . . . 0.0 110.548 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.91 -19.25 61.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.6 p -95.21 -0.85 52.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.162 0.506 . . . . 0.0 110.827 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 13' ' ' ARG . 92.9 t -89.16 133.43 35.15 Favored Pre-proline 0 C--O 1.244 0.79 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -41.71 130.43 3.96 Favored 'Trans proline' 0 C--O 1.253 1.245 0 C-N-CA 124.174 3.25 . . . . 0.0 114.053 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -17.97 64.07 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.037 0.935 . . . . 0.0 110.74 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -55.5 -34.24 64.43 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 124.407 1.083 . . . . 0.0 110.754 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -122.46 -33.91 3.36 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.988 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.25 -5.75 59.12 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -177.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.01 -62.55 6.16 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 119.766 -0.463 . . . . 0.0 113.808 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -61.89 -24.7 77.38 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 122.336 2.024 . . . . 0.0 112.012 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.403 ' HG ' HD21 ' A' ' 14' ' ' LEU . 29.3 tp -78.14 -35.56 48.85 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.725 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -62.4 -34.17 76.21 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 110.117 173.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -67.12 -48.83 66.93 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.769 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.48 ' CE1' HD13 ' A' ' 32' ' ' ILE . 45.6 t80 -57.87 -49.11 77.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.497 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.98 91.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.354 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.67 96.22 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.48 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.8 m -61.33 -39.28 89.97 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 123.58 0.55 . . . . 0.0 110.786 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.48 HD13 ' CE1' ' A' ' 28' ' ' TYR . 59.5 mt -66.51 -49.1 77.94 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.194 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -57.78 -33.88 68.99 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 p -70.86 -48.19 55.21 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.51 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -76.47 -18.21 58.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 111.584 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -75.33 -27.28 59.18 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.46 -50.78 2.88 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.407 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.76 101.92 1.8 Allowed 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 123.878 0.871 . . . . 0.0 110.712 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -103.03 89.73 3.53 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.551 0.691 . . . . 0.0 109.754 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -82.23 -34.39 28.89 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.32 -23.54 26.9 Favored Glycine 0 N--CA 1.441 -1.031 0 CA-C-N 115.456 -0.793 . . . . 0.0 114.097 173.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.407 ' HG3' HG11 ' A' ' 43' ' ' VAL . 27.9 tptp -92.17 -63.87 1.18 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 117.11 0.455 . . . . 0.0 112.034 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.407 HG11 ' HG3' ' A' ' 42' ' ' LYS . 27.2 m -122.94 145.7 29.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.3 tp -127.58 113.97 16.8 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 176.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.2 m -87.79 107.02 18.46 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.37 0.605 . . . . 0.0 111.019 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 pt -101.57 174.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -111.8 177.31 4.69 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 121.174 -0.21 . . . . 0.0 110.762 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -64.48 -31.53 72.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 121.096 0.474 . . . . 0.0 110.568 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.3 -40.18 81.3 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.978 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -73.13 -43.2 61.98 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.399 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.5 tp -55.7 -43.7 76.69 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.44 0.638 . . . . 0.0 109.553 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -61.54 -39.05 89.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.247 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.566 ' O ' HG13 ' A' ' 57' ' ' ILE . 28.5 m -63.79 -49.03 74.5 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.671 0.607 . . . . 0.0 109.569 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mp -52.64 -47.26 67.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.337 0.655 . . . . 0.0 111.157 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.98 -42.11 72.02 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.668 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.0 t -72.88 -41.03 60.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.955 0.407 . . . . 0.0 110.144 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 53' ' ' THR . 47.6 mt -63.1 -50.84 77.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.745 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -86.83 1.53 52.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.716 -172.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 t70 59.66 58.34 2.91 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 122.334 1.064 . . . . 0.0 110.84 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -139.99 143.46 36.49 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.153 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 m -64.28 141.89 98.22 Favored Pre-proline 0 C--N 1.299 -1.592 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -43.48 -47.53 9.19 Favored 'Trans proline' 0 C--N 1.365 1.425 0 C-N-CA 124.134 3.223 . . . . 0.0 114.235 -176.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.489 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 21.3 m -65.85 -44.45 85.44 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.989 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.88 -41.16 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.373 0.606 . . . . 0.0 109.829 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.75 -40.67 97.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.075 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 57.1 m -64.27 -42.46 96.44 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.29 -0.413 . . . . 0.0 109.975 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 63' ' ' SER . 48.2 mt-10 -59.86 -38.15 81.32 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.63 -56.29 23.85 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 123.485 0.714 . . . . 0.0 111.217 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.43 -36.55 76.1 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.352 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 76.4 mt -71.93 -34.79 52.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.4 t -68.05 -32.44 72.8 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 122.911 0.484 . . . . 0.0 110.497 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 14.7 m0 -87.29 -7.37 57.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.164 0.507 . . . . 0.0 110.05 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.68 27.68 68.75 Favored Glycine 0 CA--C 1.503 -0.699 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.218 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.6 t -93.58 -29.86 4.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.5 tp -111.57 155.51 23.21 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.437 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.49 140.01 57.04 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 123.673 0.789 . . . . 0.0 110.475 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.57 -33.4 74.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -77.71 -23.36 49.45 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 120.851 0.358 . . . . 0.0 111.264 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -25.47 23.18 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -14.77 62.35 Favored 'General case' 0 C--O 1.212 -0.893 0 C-N-CA 118.884 -1.126 . . . . 0.0 111.398 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 . . . . . 0 CA--C 1.514 -0.428 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt . . . . . 0 N--CA 1.43 -1.475 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.4 mt -99.69 118.81 37.0 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.63 113.08 25.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 CA-C-O 121.213 0.53 . . . . 0.0 110.196 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.6 tp -93.64 106.5 18.46 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 12.1 t70 -77.34 111.9 13.49 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.3 mt -77.22 -26.36 52.61 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 120.901 0.382 . . . . 0.0 111.041 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.64 -47.42 66.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.561 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 17' ' ' VAL . 25.9 mmt180 -70.86 -31.17 67.77 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 176.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 1.5 tm? -64.42 -34.31 77.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.443 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -68.8 -22.77 64.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.648 176.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -88.64 -3.76 58.71 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-O 121.659 0.742 . . . . 0.0 109.833 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 13' ' ' ARG . 73.6 t -92.36 133.3 30.11 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -39.73 125.32 1.5 Allowed 'Trans proline' 0 C--O 1.254 1.293 0 C-N-CA 124.145 3.23 . . . . 0.0 113.838 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.17 -18.02 59.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.665 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -52.8 -36.11 57.86 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.729 0.811 . . . . 0.0 110.309 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -119.64 -25.53 5.93 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.573 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.66 -4.14 25.56 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -175.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.13 -62.25 6.41 Favored Glycine 0 N--CA 1.468 0.81 0 CA-C-O 119.842 -0.421 . . . . 0.0 112.76 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -58.59 -28.95 87.62 Favored 'Trans proline' 0 C--N 1.363 1.335 0 C-N-CA 122.796 2.331 . . . . 0.0 111.628 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.9 tp -66.16 -40.48 90.55 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.28 -178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 15' ' ' ALA . 73.2 mt-30 -62.46 -36.5 82.67 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.134 174.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -73.13 -40.85 64.57 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.45 ' CD2' HD21 ' A' ' 54' ' ' LEU . 83.2 t80 -57.05 -49.89 74.44 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 174.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -56.24 -46.01 79.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.272 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.02 -38.64 89.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.186 0.517 . . . . 0.0 111.142 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.5 m -69.21 -43.1 74.78 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.443 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 28' ' ' TYR . 34.3 mm -58.89 -38.76 75.05 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 C-N-CA 123.477 0.711 . . . . 0.0 110.984 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 99.3 mt-30 -56.68 -49.77 74.11 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.872 177.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.7 m -66.15 -34.12 77.31 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.009 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -66.47 -35.84 81.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 mpt_? -82.97 -27.22 30.64 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.382 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.67 2.01 87.56 Favored Glycine 0 N--CA 1.467 0.718 0 CA-C-O 122.039 0.799 . . . . 0.0 111.138 -177.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -130.57 121.42 25.64 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -138.78 167.4 22.08 Favored 'General case' 0 N--CA 1.417 -2.098 0 C-N-CA 119.289 -0.964 . . . . 0.0 111.392 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -151.41 127.16 10.23 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.54 -2.93 90.05 Favored Glycine 0 C--N 1.298 -1.551 0 C-N-CA 120.136 -1.03 . . . . 0.0 113.327 -174.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -100.16 -48.09 4.74 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.784 0.326 . . . . 0.0 110.578 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.7 157.12 38.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.393 . . . . 0.0 110.975 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 tp -134.06 118.99 18.39 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 m -92.02 102.33 14.88 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.529 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.9 pt -101.59 168.76 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -112.48 177.06 4.76 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.741 177.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.542 ' NE2' ' H ' ' A' ' 48' ' ' GLN . 2.1 mp0 -64.03 -36.87 85.4 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 123.445 0.698 . . . . 0.0 110.072 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -65.61 -26.56 67.89 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.859 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -87.38 -39.61 15.14 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 tp -55.1 -33.53 62.89 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.451 1.1 . . . . 0.0 110.337 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.415 ' O ' HG22 ' A' ' 56' ' ' VAL . 67.6 mtp180 -60.6 -28.11 68.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.642 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.498 ' O ' HG13 ' A' ' 57' ' ' ILE . 20.5 m -67.97 -39.42 83.34 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.45 HD21 ' CD2' ' A' ' 28' ' ' TYR . 92.4 mt -61.83 -37.43 84.42 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.595 178.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.74 87.05 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.224 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 52' ' ' ARG . 43.9 t -72.26 -33.24 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.941 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 53' ' ' THR . 29.2 mt -69.31 -48.26 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.586 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -88.03 -1.76 58.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.385 -173.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 67.96 28.07 6.96 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.818 1.247 . . . . 0.0 110.529 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -114.06 165.25 12.82 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.113 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.3 t -90.79 144.58 30.52 Favored Pre-proline 0 C--N 1.305 -1.346 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -46.72 -29.84 8.36 Favored 'Trans proline' 0 C--N 1.366 1.478 0 C-N-CA 124.257 3.304 . . . . 0.0 114.175 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 4.8 p -60.15 -57.39 13.01 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 122.46 0.304 . . . . 0.0 111.15 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.501 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 13.9 p -75.21 -26.06 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.272 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -44.29 96.79 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 m -64.83 -39.02 92.91 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.051 0.453 . . . . 0.0 109.84 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 63' ' ' SER . 50.3 mt-10 -61.99 -35.81 79.63 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.456 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 30.2 mm-40 -51.78 -61.06 2.49 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.766 0.827 . . . . 0.0 110.924 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.24 -35.76 74.25 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.905 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.4 mt -67.75 -49.22 71.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.218 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.4 p -64.69 -32.15 73.69 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -76.86 -16.81 59.31 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.233 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.54 34.35 11.98 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.605 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -108.71 -39.34 4.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -113.3 151.92 30.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.634 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -77.72 148.34 34.95 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.32 80.38 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 123.599 0.76 . . . . 0.0 112.788 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.7 -23.33 66.05 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -175.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -24.79 39.33 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.474 0.709 . . . . 0.0 111.749 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -53.48 -25.17 15.28 Favored 'General case' 0 C--O 1.209 -1.029 0 C-N-CA 124.041 0.937 . . . . 0.0 111.352 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 125.224 1.41 . . . . 0.0 111.167 -178.667 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttp . . . . . 0 CA--C 1.499 -1.003 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -99.27 141.53 23.02 Favored Pre-proline 0 C--N 1.3 -1.576 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -176.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -74.68 111.99 3.45 Favored 'Trans proline' 0 C--O 1.248 1.005 0 C-N-CA 122.28 1.987 . . . . 0.0 111.923 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.25 133.95 25.82 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.418 2.079 . . . . 0.0 109.931 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.69 143.88 94.18 Favored 'Trans proline' 0 C--O 1.25 1.101 0 C-N-CA 122.76 2.307 . . . . 0.0 113.478 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -90.2 152.39 21.11 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 172.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -87.15 106.9 18.2 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -99.37 114.97 39.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.14 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -102.38 129.32 48.81 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.217 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -83.44 115.53 22.1 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.7 mt -76.77 -29.71 56.21 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.463 -175.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -77.38 -32.43 54.9 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.909 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -64.23 -40.91 97.01 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.6 tp -64.3 -30.61 71.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.68 -23.1 63.4 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.017 0.437 . . . . 0.0 110.991 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.0 m -89.84 -5.36 56.94 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 121.906 0.86 . . . . 0.0 109.993 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.8 t -89.46 135.42 31.03 Favored Pre-proline 0 C--N 1.316 -0.877 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . 12.4 Cg_endo -54.28 141.64 70.38 Favored 'Trans proline' 0 C--O 1.262 1.707 0 C-N-CA 123.069 2.513 . . . . 0.0 113.333 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.7 -20.33 33.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.296 1.438 . . . . 0.0 113.891 -173.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 21' ' ' LYS . 7.7 pt-20 -50.54 -41.42 53.89 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.623 0.769 . . . . 0.0 111.585 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 33.6 mtmm -122.8 -24.51 4.82 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.017 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -76.28 -38.49 56.09 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.434 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.3 -60.17 4.79 Favored Glycine 0 N--CA 1.473 1.104 0 O-C-N 124.095 0.872 . . . . 0.0 114.309 -175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -52.61 -39.02 76.7 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 122.889 2.393 . . . . 0.0 112.96 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp -75.78 -38.56 58.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.871 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 93.1 mt-30 -60.99 -33.16 72.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.364 0.602 . . . . 0.0 109.406 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.488 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 4.2 mmp_? -74.95 -47.14 31.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.783 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.83 -54.9 27.69 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.538 0.735 . . . . 0.0 110.067 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.92 93.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.612 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.19 86.47 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.203 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.1 m -71.94 -42.08 67.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.719 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 48.7 mm -64.6 -48.17 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.431 ' NE2' ' HB2' ' A' ' 40' ' ' ASN . 13.8 mm100 -62.31 -46.0 90.68 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 p -65.1 -34.05 77.49 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.479 -0.488 . . . . 0.0 112.063 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -81.15 -22.32 39.09 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.643 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 28.3 mmt180 -84.87 -27.83 26.43 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.259 177.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.84 -48.0 0.99 Allowed Glycine 0 C--N 1.314 -0.685 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' HB2' ' HB3' ' A' ' 33' ' ' GLN . 23.1 t70 80.14 124.06 0.04 OUTLIER 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 125.61 1.564 . . . . 0.0 114.795 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -147.47 23.43 1.14 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 171.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.637 ' HB3' ' O ' ' A' ' 43' ' ' VAL . 17.0 m120 -104.27 -52.39 2.93 Favored 'General case' 0 CA--C 1.495 -1.161 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.154 -176.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.52 -71.9 0.02 OUTLIER Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.217 0.948 . . . . 0.0 115.423 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -83.05 -39.25 21.46 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 123.312 0.645 . . . . 0.0 111.575 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.637 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 16.5 m -130.37 131.4 65.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -173.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.3 tp -107.89 132.87 53.01 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.3 t -110.98 122.8 48.81 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.8 pt -119.95 179.35 2.09 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -94.11 166.7 12.0 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.99 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -69.44 -40.89 76.94 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 122.022 0.915 . . . . 0.0 108.649 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.49 -30.17 61.72 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.098 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.46 -22.88 61.01 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.138 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.1 tp -64.83 -28.98 69.93 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.363 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -65.8 -21.93 66.53 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.732 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.438 ' O ' HG13 ' A' ' 57' ' ' ILE . 11.4 m -63.49 -42.21 98.54 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.454 HD21 ' OH ' ' A' ' 58' ' ' TYR . 96.1 mt -67.12 -33.06 74.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.047 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.01 74.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.554 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.0 t -73.19 -42.66 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 53' ' ' THR . 44.6 mt -60.99 -45.93 97.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.73 -177.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.454 ' OH ' HD21 ' A' ' 54' ' ' LEU . 3.3 m-85 -89.47 -11.69 42.26 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.129 -0.629 . . . . 0.0 110.232 -175.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 64.8 59.1 0.92 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-O 122.979 1.371 . . . . 0.0 109.709 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -129.49 154.05 47.37 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 113.875 -1.511 . . . . 0.0 108.482 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.0 m -75.12 137.72 72.35 Favored Pre-proline 0 C--N 1.3 -1.55 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -46.68 -43.06 23.74 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 123.724 2.949 . . . . 0.0 113.428 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 m -57.22 -54.05 51.22 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.654 0.782 . . . . 0.0 110.943 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 55.7 t -67.85 -38.26 79.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.542 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.95 -44.83 94.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.351 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.2 m -61.98 -43.53 98.65 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.122 0.487 . . . . 0.0 109.706 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -64.43 -31.76 73.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.519 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 9.9 mm-40 -58.34 -55.97 28.09 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 123.466 0.479 . . . . 0.0 111.112 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.67 -37.82 76.83 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.298 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 93.9 mt -68.22 -42.13 84.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.531 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -64.59 -42.69 95.41 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 123.122 0.569 . . . . 0.0 110.652 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -73.62 -15.62 61.26 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.997 0.427 . . . . 0.0 110.79 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.79 20.76 60.79 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -88.84 -23.43 6.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 58.6 tp -135.51 154.89 51.24 Favored 'General case' 0 N--CA 1.436 -1.175 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.07 151.37 19.25 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 123.486 0.491 . . . . 0.0 110.972 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.35 -12.88 60.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.336 1.065 . . . . 0.0 110.329 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.8 -22.39 66.59 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 114.656 -1.157 . . . . 0.0 110.912 174.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.5 -24.1 61.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.807 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -55.44 -30.97 61.49 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.615 0.766 . . . . 0.0 112.385 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -66.9 -16.07 64.07 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.409 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.85 -31.74 16.33 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.936 0.398 . . . . 0.0 109.959 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.1 -40.79 78.75 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.324 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.82 119.92 19.66 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.5 t -81.6 -33.33 31.59 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 121.145 0.498 . . . . 0.0 109.852 -177.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -156.2 138.27 14.55 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -80.6 139.94 36.0 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 65.6 -109.54 0.17 Allowed 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.196 0.998 . . . . 0.0 110.032 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.9 mt . . . . . 0 C--O 1.251 1.168 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.8 mmm . . . . . 0 CA--C 1.504 -0.818 0 CA-C-O 121.236 0.541 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.12 137.41 30.56 Favored Pre-proline 0 C--N 1.295 -1.789 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -66.09 132.16 29.12 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 121.983 1.789 . . . . 0.0 110.557 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -66.31 150.36 84.65 Favored 'Trans proline' 0 C--O 1.251 1.161 0 C-N-CA 121.952 1.768 . . . . 0.0 110.139 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.41 114.65 2.07 Favored 'Trans proline' 0 C--O 1.249 1.069 0 C-N-CA 122.628 2.219 . . . . 0.0 111.884 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -100.05 125.3 46.1 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -85.79 112.98 21.6 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.754 -173.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.8 t -95.15 112.38 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.582 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tt -106.89 111.53 24.08 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' O ' HG13 ' A' ' 74' ' ' VAL . 10.4 t70 -72.82 108.89 6.02 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.281 -176.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.4 mt -77.19 -21.52 53.81 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -174.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -82.47 -39.57 22.33 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.938 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' O ' HG22 ' A' ' 17' ' ' VAL . 26.2 tpt180 -66.02 -31.98 73.19 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 173.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.59 -31.25 71.3 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.752 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.46 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -70.75 -31.76 68.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.19 0.519 . . . . 0.0 110.821 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 p -86.69 6.67 30.08 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 13' ' ' ARG . 89.0 t -95.44 130.4 32.24 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -43.72 142.61 3.27 Favored 'Trans proline' 0 C--O 1.255 1.326 0 C-N-CA 124.204 3.269 . . . . 0.0 114.458 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.17 67.36 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.835 1.254 . . . . 0.0 111.286 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -54.18 -40.01 67.15 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.558 0.743 . . . . 0.0 110.125 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -102.34 -51.1 3.43 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.037 -174.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -94.73 1.89 55.5 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -172.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.33 -69.89 0.81 Allowed Glycine 0 N--CA 1.475 1.253 0 N-CA-C 115.044 0.778 . . . . 0.0 115.044 -175.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -68.81 -19.99 40.2 Favored 'Trans proline' 0 C--O 1.241 0.632 0 C-N-CA 122.616 2.21 . . . . 0.0 111.875 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.2 tp -73.55 -38.78 65.12 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.812 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 95.2 mt-30 -63.47 -35.23 79.76 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.6 0.714 . . . . 0.0 109.191 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -68.63 -41.45 79.43 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.256 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.436 ' CE2' HD12 ' A' ' 32' ' ' ILE . 73.8 t80 -64.8 -38.85 92.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.06 88.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.387 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.09 97.37 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 110.315 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.8 m -61.3 -36.74 80.91 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.325 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.436 HD12 ' CE2' ' A' ' 28' ' ' TYR . 47.2 mm -66.3 -45.23 90.25 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.71 -41.65 86.86 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.39 0.431 . . . . 0.0 111.52 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 m -64.91 -31.01 72.04 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.465 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -79.53 -32.52 42.29 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.253 -0.28 . . . . 0.0 110.977 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -72.55 -27.53 62.27 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 120.482 0.182 . . . . 0.0 111.033 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.99 35.85 92.65 Favored Glycine 0 C--O 1.243 0.699 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -145.26 153.29 41.15 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -96.01 0.64 51.92 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 118.982 -1.087 . . . . 0.0 113.643 -175.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -71.71 93.29 1.26 Allowed 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.788 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.83 41.01 1.78 Allowed Glycine 0 CA--C 1.472 -2.624 0 N-CA-C 110.194 -1.163 . . . . 0.0 110.194 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -90.51 -37.76 13.67 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.9 m -141.12 153.71 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.288 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.5 tp -124.09 136.1 54.0 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 p -104.15 119.92 40.0 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 123.444 0.465 . . . . 0.0 110.527 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.9 pt -140.63 171.35 13.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 C-N-CA 122.796 0.438 . . . . 0.0 110.095 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -109.93 171.47 7.43 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -62.86 -30.32 71.42 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.868 0.842 . . . . 0.0 109.558 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.0 -31.69 72.73 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.514 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -85.06 -43.14 14.18 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.6 tp -56.12 -32.16 63.97 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.59 1.156 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' O ' HG22 ' A' ' 56' ' ' VAL . 79.0 ttt180 -52.6 -42.16 64.32 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.018 0.927 . . . . 0.0 111.043 177.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.484 ' O ' HG13 ' A' ' 57' ' ' ILE . 38.4 m -59.88 -42.05 92.88 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 122.946 0.498 . . . . 0.0 110.763 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.29 -43.78 93.7 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.37 82.46 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.326 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 52' ' ' ARG . 89.8 t -65.6 -35.59 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.754 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 53' ' ' THR . 38.8 mt -65.08 -29.84 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.714 0.768 . . . . 0.0 110.53 -178.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -102.5 5.83 39.66 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.838 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.2 t70 60.74 34.17 19.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.701 1.201 . . . . 0.0 110.25 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' A' ' 60' ' ' GLN . 16.7 mt-30 -113.34 164.47 13.53 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.069 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.6 t -84.79 141.87 38.77 Favored Pre-proline 0 N--CA 1.434 -1.255 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.75 -36.42 82.08 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.253 2.635 . . . . 0.0 112.884 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.0 p -63.22 -52.21 63.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.269 0.556 . . . . 0.0 110.627 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.99 -43.0 97.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.245 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.418 ' O ' HD22 ' A' ' 69' ' ' LEU . 3.2 tm? -58.8 -47.93 83.05 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.191 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.42 ' O ' HG13 ' A' ' 70' ' ' ILE . 96.2 m -57.77 -49.44 76.6 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 123.197 0.599 . . . . 0.0 111.271 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.3 -34.62 75.52 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -64.09 -54.74 29.28 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.504 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.418 HD22 ' O ' ' A' ' 65' ' ' LEU . 4.4 mm? -56.77 -38.3 72.3 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.32 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 66' ' ' THR . 72.0 mt -66.69 -42.27 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-O 120.941 0.401 . . . . 0.0 110.097 177.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.1 m -64.89 -28.51 69.59 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -86.66 -5.5 59.11 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.192 0.52 . . . . 0.0 110.242 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.23 21.0 65.91 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 10' ' ' ASP . 96.8 t -91.79 -45.49 14.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 121.093 0.473 . . . . 0.0 110.279 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.5 tp -104.35 143.96 32.27 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.916 -177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.15 139.95 58.45 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.02 -19.46 65.7 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 23.4 t70 -59.46 -19.94 51.47 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.028 0.931 . . . . 0.0 111.635 -178.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.9 -27.88 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.507 1.123 . . . . 0.0 112.086 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -56.85 -32.5 65.87 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.647 0.779 . . . . 0.0 112.512 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 78' ' ' ASP . 14.1 ptp180 -83.09 -16.94 44.93 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 119.543 -0.863 . . . . 0.0 110.711 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.05 55.78 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 121.569 0.699 . . . . 0.0 109.339 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.1 t -80.91 2.14 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 CA-C-O 122.615 1.198 . . . . 0.0 109.016 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -110.95 -58.25 2.13 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.627 175.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.6 m -92.96 95.95 9.8 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-O 121.444 0.64 . . . . 0.0 109.626 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -92.69 -41.6 10.07 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.289 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -83.33 142.77 30.82 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.295 -174.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -169.51 165.47 10.37 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 C--N 1.302 -1.487 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 177.33 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 CA--C 1.506 -0.748 0 CA-C-O 121.156 0.503 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.5 169.77 8.64 Favored Pre-proline 0 C--N 1.285 -2.234 0 CA-C-O 118.141 -0.933 . . . . 0.0 108.819 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -45.67 118.56 2.28 Favored 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 122.875 2.383 . . . . 0.0 112.016 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -48.18 125.23 11.54 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 124.037 3.158 . . . . 0.0 113.513 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.23 114.93 2.16 Favored 'Trans proline' 0 C--O 1.244 0.824 0 C-N-CA 122.699 2.266 . . . . 0.0 109.528 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -79.03 130.17 35.23 Favored 'General case' 0 N--CA 1.416 -2.145 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.75 -177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.97 104.29 9.51 Favored 'General case' 0 N--CA 1.41 -2.441 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -88.92 112.26 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.38 123.92 39.15 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -77.04 112.92 14.2 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.27 -26.34 64.72 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -68.49 -47.85 65.95 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.327 0.584 . . . . 0.0 109.972 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -63.31 -40.13 96.5 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.045 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 tp -61.79 -40.8 96.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.266 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.47 -16.35 61.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.103 0.477 . . . . 0.0 111.271 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.4 m -80.7 -26.71 37.33 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.377 0.608 . . . . 0.0 109.607 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.7 t -78.08 134.47 63.66 Favored Pre-proline 0 C--N 1.313 -0.979 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.59 152.33 27.69 Favored 'Trans proline' 0 C--O 1.25 1.1 0 C-N-CA 123.475 2.783 . . . . 0.0 113.304 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.37 -28.32 69.15 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.384 0.673 . . . . 0.0 111.681 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.57 -31.42 56.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.348 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 8.1 mmpt? -108.55 -54.11 2.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.086 0.47 . . . . 0.0 111.045 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.02 -9.54 45.54 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -172.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.413 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -57.89 -56.8 23.18 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 119.749 -0.473 . . . . 0.0 113.572 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.27 -22.53 46.21 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 121.984 1.789 . . . . 0.0 111.501 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.589 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -73.91 -46.62 43.24 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 178.796 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -63.92 -26.58 68.66 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 21.6 mtm180 -62.82 -50.83 69.41 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.458 ' CD1' HD21 ' A' ' 54' ' ' LEU . 39.8 t80 -63.25 -43.88 96.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.068 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -56.63 -47.26 80.09 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.41 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.15 85.53 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.562 0.539 . . . . 0.0 110.252 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.2 m -63.36 -44.93 93.39 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.695 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.4 mm -69.07 -40.08 80.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.956 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 28.0 mt-30 -57.64 -49.25 77.06 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.129 0.49 . . . . 0.0 110.089 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.8 t -66.81 -49.26 66.38 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.104 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -86.28 -43.46 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -172.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -110.37 -28.6 8.5 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 118.601 -1.239 . . . . 0.0 112.857 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.89 -10.81 82.5 Favored Glycine 0 CA--C 1.494 -1.266 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 t70 49.0 64.25 1.8 Allowed 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 125.874 1.669 . . . . 0.0 111.851 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 58.34 87.72 0.07 Allowed 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.678 1.591 . . . . 0.0 114.283 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -157.12 122.62 4.66 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.39 28.85 8.32 Favored Glycine 0 N--CA 1.436 -1.348 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.192 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -100.16 -56.36 2.38 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.513 0.673 . . . . 0.0 110.031 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.2 m -137.31 154.96 31.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.795 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.5 tp -128.65 131.27 48.04 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -111.67 113.23 25.48 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 120.881 0.372 . . . . 0.0 110.427 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.9 pt -123.66 172.1 11.6 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -97.9 171.98 7.94 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.65 -24.07 62.63 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 173.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -62.74 -39.46 94.17 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.639 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -70.72 -39.63 73.29 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.03 -32.02 73.24 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.62 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' O ' HG21 ' A' ' 56' ' ' VAL . 46.7 ttm105 -59.86 -40.66 89.36 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.436 ' O ' HG13 ' A' ' 57' ' ' ILE . 48.3 m -70.33 -38.34 74.88 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.906 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' ' 28' ' ' TYR . 76.8 mt -55.17 -49.66 71.31 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.69 -31.22 66.15 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.657 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 52' ' ' ARG . 61.7 t -73.32 -38.61 54.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 53' ' ' THR . 34.7 mt -63.07 -47.86 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 121.185 0.516 . . . . 0.0 110.577 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.589 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 4.5 m-85 -88.03 -3.29 58.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.119 -175.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 t70 58.29 61.07 2.4 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.82 1.248 . . . . 0.0 109.6 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -134.89 165.28 25.66 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.496 -1.229 . . . . 0.0 109.692 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.0 t -76.75 131.62 73.39 Favored Pre-proline 0 N--CA 1.429 -1.513 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.43 -36.53 88.08 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 123.008 2.472 . . . . 0.0 111.812 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.6 m -62.64 -50.07 72.68 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.186 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 49.1 t -69.22 -36.67 73.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.923 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.407 ' O ' HD21 ' A' ' 69' ' ' LEU . 2.1 tm? -61.02 -50.86 71.64 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.999 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.9 m -60.12 -42.88 95.71 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.445 0.64 . . . . 0.0 109.296 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.28 -42.66 99.02 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.153 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 64' ' ' VAL . 26.6 mt-30 -61.77 -51.4 68.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 122.467 0.307 . . . . 0.0 111.203 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.407 HD21 ' O ' ' A' ' 65' ' ' LEU . 4.4 mm? -56.16 -39.67 72.69 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 120.758 0.313 . . . . 0.0 111.74 178.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.88 -47.15 83.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.319 176.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 m -65.47 -31.89 73.2 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -73.33 -16.8 61.35 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 110.649 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.9 18.95 49.35 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.113 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.99 -44.8 14.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.8 tp -104.99 151.41 23.95 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.28 147.67 34.21 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -59.56 -51.67 68.86 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -176.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.9 -21.53 30.41 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.22 -24.56 66.43 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.099 0.56 . . . . 0.0 111.61 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 8.3 ptm180 -55.1 -32.11 61.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.448 0.699 . . . . 0.0 111.975 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 66.6 mtp180 -78.37 -14.94 59.18 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.91 -176.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.35 -14.02 57.7 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.4 t -100.02 -47.2 11.94 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.823 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 81' ' ' ARG . . . -145.2 121.61 10.97 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.237 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.7 t -116.63 177.55 4.66 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 67.41 85.83 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.61 1.164 . . . . 0.0 112.037 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -92.18 173.98 7.54 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.892 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.88 9.65 39.87 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.641 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.253 1.241 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.577 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.509 ' O ' ' HD3' ' A' ' 3' ' ' PRO . 27.1 ptm . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 111.595 0.221 . . . . 0.0 111.595 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -84.37 113.03 46.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 118.964 -0.541 . . . . 0.0 110.75 -175.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 1' ' ' MET . 22.4 Cg_exo -61.51 -51.1 4.54 Favored 'Trans proline' 0 CA--C 1.561 1.863 0 C-N-CA 120.988 1.126 . . . . 0.0 109.774 169.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' A' ' 3' ' ' PRO . 1.2 Cg_endo -92.36 103.56 0.2 Allowed 'Trans proline' 0 C--N 1.396 3.038 0 C-N-CA 121.884 1.723 . . . . 0.0 107.884 167.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 3' ' ' PRO . 24.1 Cg_exo -61.79 133.63 46.0 Favored 'Trans proline' 0 CA--C 1.507 -0.864 0 C-N-CA 122.982 2.455 . . . . 0.0 113.281 -174.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -84.06 104.19 13.91 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 175.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 45' ' ' SER . 69.6 mt -80.45 109.93 15.42 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -175.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.9 114.03 41.33 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.451 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.11 126.62 49.11 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -79.25 110.15 14.26 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 175.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.24 -33.73 75.95 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.598 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -69.99 -31.27 68.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.6 0.714 . . . . 0.0 110.271 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -75.65 -35.19 60.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.94 -29.53 70.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.486 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.3 0.3 14.72 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.27 0.628 . . . . 0.0 111.513 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -107.13 4.04 26.4 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 122.506 1.146 . . . . 0.0 109.096 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.9 t -106.04 126.41 30.69 Favored Pre-proline 0 N--CA 1.439 -0.985 0 N-CA-C 108.066 -1.086 . . . . 0.0 108.066 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.599 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 36.9 Cg_endo -63.22 158.44 44.37 Favored 'Trans proline' 0 C--O 1.256 1.422 0 C-N-CA 123.068 2.512 . . . . 0.0 113.757 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.23 -27.35 67.13 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -173.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.599 ' OE1' ' HB2' ' A' ' 18' ' ' PRO . 2.9 pm0 -62.44 -22.99 66.63 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -116.95 -41.93 2.99 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.751 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -103.29 -0.65 29.99 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -175.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.0 -65.38 2.72 Favored Glycine 0 N--CA 1.483 1.768 0 N-CA-C 115.062 0.785 . . . . 0.0 115.062 -174.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.16 -28.74 64.9 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.09 1.86 . . . . 0.0 111.679 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.75 -42.65 73.63 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.841 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 96.8 mt-30 -64.75 -40.86 96.0 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.0 mtm105 -64.46 -44.47 90.99 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.351 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' O ' HG12 ' A' ' 32' ' ' ILE . 54.9 t80 -61.39 -43.96 97.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.39 88.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.328 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.33 73.93 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.914 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.425 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 72.4 m -66.16 -44.13 84.98 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.011 177.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 28' ' ' TYR . 48.3 mm -61.74 -41.91 92.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.268 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -56.64 -56.24 23.85 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.9 p -68.16 -36.36 79.52 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 31' ' ' THR . 85.7 mm-40 -67.87 -42.07 81.85 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.897 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -73.49 -26.32 60.85 Favored 'General case' 0 N--CA 1.424 -1.771 0 CA-C-O 121.077 0.465 . . . . 0.0 110.372 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.88 32.0 13.83 Favored Glycine 0 CA--C 1.49 -1.469 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -119.45 153.51 35.16 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 114.919 -0.641 . . . . 0.0 109.971 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -124.86 16.76 8.64 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -73.09 100.4 3.02 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.38 30.99 9.05 Favored Glycine 0 C--N 1.294 -1.802 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -96.91 -59.02 1.89 Allowed 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.8 m -138.92 157.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.081 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.1 tp -135.47 134.03 39.14 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 23.0 t -119.88 116.33 25.61 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.205 0.526 . . . . 0.0 109.669 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 pp -113.86 170.45 4.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.206 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.91 177.17 4.97 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.987 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 88.5 mm-40 -69.41 -28.01 65.79 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.913 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -67.53 -36.61 81.35 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.164 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' HD13 ' A' ' 54' ' ' LEU . 6.7 m-20 -70.35 -42.0 72.44 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 tp -53.59 -43.45 68.59 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.072 0.463 . . . . 0.0 110.365 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 48' ' ' GLN . 28.1 mmm180 -64.93 -24.21 67.46 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.393 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.446 ' O ' HG13 ' A' ' 57' ' ' ILE . 32.0 m -87.4 -52.73 5.2 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 50' ' ' ASP . 10.8 mp -52.49 -46.41 66.58 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 124.232 1.013 . . . . 0.0 112.717 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.61 68.02 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.465 0.478 . . . . 0.0 111.556 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.93 -37.29 53.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.287 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 53' ' ' THR . 53.8 mt -61.94 -38.35 80.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.437 0.636 . . . . 0.0 109.826 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -92.51 4.49 53.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.649 -176.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 66.17 24.1 10.85 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.452 1.101 . . . . 0.0 111.05 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -109.33 158.96 17.38 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.443 0.639 . . . . 0.0 111.741 -176.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.0 m -88.79 141.95 30.27 Favored Pre-proline 0 C--N 1.298 -1.636 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.471 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -44.48 -45.25 13.02 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 124.742 3.628 . . . . 0.0 116.555 -174.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.6 m -66.21 -50.74 62.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 118.079 0.4 . . . . 0.0 110.786 -176.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.4 m -69.66 -27.56 34.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.231 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.8 -46.1 76.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -62.63 -43.56 98.49 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.571 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.89 -42.05 97.23 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.751 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -52.67 -57.08 11.22 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.27 0.628 . . . . 0.0 111.198 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.06 -38.74 68.41 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.1 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.8 mt -73.3 -38.91 54.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.296 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.4 p -69.55 -22.9 63.51 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -85.63 -14.35 45.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.356 0.598 . . . . 0.0 109.703 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.37 19.52 68.83 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 -177.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.3 t -88.52 -34.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.142 0.496 . . . . 0.0 109.687 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.8 tp -116.29 148.12 40.85 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.947 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.03 141.29 58.82 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.337 1.023 . . . . 0.0 110.144 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.85 -27.83 67.85 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -174.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.61 -20.35 62.76 Favored 'General case' 0 C--N 1.31 -1.128 0 O-C-N 122.093 -0.38 . . . . 0.0 111.974 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.02 -38.74 62.61 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.189 0.596 . . . . 0.0 111.955 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -65.39 -26.28 67.92 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -179.345 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.42 ' N ' ' HD3' ' A' ' 80' ' ' ARG . 55.8 ttp85 -72.4 -53.4 12.36 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.38 -36.87 85.55 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.498 -1.228 . . . . 0.0 112.554 -174.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.7 p -76.53 -27.1 17.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.668 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.28 -36.47 54.26 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.928 0.394 . . . . 0.0 110.603 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.5 p -82.03 106.77 14.21 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 68.56 -173.87 0.19 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.974 0.909 . . . . 0.0 110.385 177.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.04 -53.77 1.2 Allowed 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -126.11 -48.14 1.61 Allowed 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 103.943 -2.614 . . . . 0.0 103.943 170.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.6 mt . . . . . 0 N--CA 1.415 -2.181 0 N-CA-C 103.879 -2.637 . . . . 0.0 103.879 172.464 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 CA--C 1.503 -0.851 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 68.68 144.64 0.1 OUTLIER Pre-proline 0 C--O 1.24 0.585 0 C-N-CA 124.495 1.118 . . . . 0.0 111.2 -177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.83 145.52 80.78 Favored 'Trans proline' 0 N--CA 1.446 -1.313 0 C-N-CA 121.348 1.365 . . . . 0.0 109.54 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -60.46 141.23 94.96 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.581 1.521 . . . . 0.0 108.826 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.17 99.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.703 2.269 . . . . 0.0 112.667 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' HZ2' ' HB2' ' A' ' 6' ' ' LYS . 10.0 mtmp? -109.59 125.43 52.54 Favored 'General case' 0 N--CA 1.419 -1.989 0 CA-C-N 114.915 -1.039 . . . . 0.0 108.312 176.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 62.1 mt -81.36 104.67 11.97 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.395 -171.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.24 126.89 74.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.9 mt -102.67 138.61 39.35 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.314 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -89.6 107.64 19.2 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 175.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.1 mt -74.51 -22.26 59.14 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.967 -174.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -76.06 -39.18 56.04 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -68.59 -35.31 77.18 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.6 tp -65.4 -29.05 69.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.211 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.71 -22.42 59.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 m -81.93 -31.82 31.14 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.221 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.03 132.07 93.54 Favored Pre-proline 0 C--O 1.242 0.7 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -39.59 134.48 1.43 Allowed 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 124.291 3.327 . . . . 0.0 113.458 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.05 -18.25 45.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -174.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -79.01 -30.28 44.16 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.561 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -85.24 -48.44 9.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.183 0.516 . . . . 0.0 110.374 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.91 -6.12 27.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -173.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.28 -60.26 9.25 Favored Glycine 0 N--CA 1.468 0.77 0 CA-C-O 119.907 -0.385 . . . . 0.0 113.502 -177.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -57.59 -28.29 80.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 122.549 2.166 . . . . 0.0 112.48 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.426 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 46.1 tp -77.84 -34.36 51.89 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.508 -177.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -63.97 -23.34 67.3 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.977 0.418 . . . . 0.0 111.498 175.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -69.62 -53.17 20.04 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.553 ' CD2' HD21 ' A' ' 54' ' ' LEU . 69.9 t80 -57.35 -42.02 81.21 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 114.319 -1.309 . . . . 0.0 110.186 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.565 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -54.06 -51.87 62.7 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.894 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.0 76.16 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-O 121.262 0.554 . . . . 0.0 111.831 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.1 m -67.09 -47.17 72.02 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 121.492 0.663 . . . . 0.0 109.777 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.496 HG13 ' CE2' ' A' ' 28' ' ' TYR . 34.7 mm -69.81 -36.29 69.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.857 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 28.6 mt-30 -55.01 -47.96 74.0 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.5 m -60.27 -41.5 93.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.564 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -71.37 -29.06 64.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -99.31 7.86 45.22 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.294 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.19 27.79 71.23 Favored Glycine 0 C--O 1.242 0.643 0 CA-C-N 115.199 -0.91 . . . . 0.0 114.138 174.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.539 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 22.1 t70 -108.17 129.62 55.17 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.228 -178.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -132.07 29.17 4.4 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -91.83 -38.69 12.19 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.834 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.82 22.3 77.2 Favored Glycine 0 C--O 1.224 -0.526 0 CA-C-N 115.59 -0.732 . . . . 0.0 113.691 175.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -100.25 -64.99 0.99 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 117.231 0.515 . . . . 0.0 111.609 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.5 m -126.56 125.35 67.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.969 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.0 tp -116.01 119.39 35.74 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.055 -178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 m -82.46 125.26 30.88 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.636 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.3 pt -123.93 176.25 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.251 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -107.15 169.4 8.58 Favored 'General case' 0 C--N 1.29 -1.978 0 C-N-CA 123.09 0.556 . . . . 0.0 109.841 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -66.8 -31.78 72.63 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.3 -41.24 98.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.473 -1.24 . . . . 0.0 111.027 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -65.97 -42.66 89.6 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.62 -41.13 98.82 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.653 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -62.74 -38.24 89.75 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.167 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.8 m -67.85 -38.99 83.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.343 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.553 HD21 ' CD2' ' A' ' 28' ' ' TYR . 92.1 mt -61.12 -39.76 91.21 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.176 177.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.52 69.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.829 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.98 -47.85 66.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.967 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.4 mt -63.04 -46.37 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.604 0.716 . . . . 0.0 110.808 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.426 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 9.6 m-85 -91.37 8.02 38.22 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.026 -172.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 52.81 65.95 1.37 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.267 1.032 . . . . 0.0 110.539 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.516 HE21 ' HA ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -139.01 172.8 12.31 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.568 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.8 p -102.87 155.48 36.52 Favored Pre-proline 0 C--N 1.282 -2.332 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -46.3 -43.49 21.39 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.267 2.645 . . . . 0.0 114.008 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.1 t -71.1 -40.47 71.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.693 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.4 t -68.03 -37.44 78.27 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 CA-C-O 121.184 0.516 . . . . 0.0 109.728 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.34 -51.61 65.26 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.615 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.7 t -64.32 -35.05 79.6 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.17 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.61 -38.27 89.53 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -68.52 -48.62 63.9 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.182 0.301 . . . . 0.0 111.009 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.23 -39.79 79.99 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.07 -34.33 45.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.363 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.6 t -61.55 -42.05 98.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 28.8 m0 -74.49 -16.59 60.84 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.346 0.593 . . . . 0.0 111.103 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.1 10.51 78.14 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.4 t -77.02 -35.21 22.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 tp -112.88 146.13 39.46 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.68 146.3 51.71 Favored 'General case' 0 C--N 1.313 -1.019 0 O-C-N 123.81 0.694 . . . . 0.0 111.467 -177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' O ' ' HD2' ' A' ' 80' ' ' ARG . . . -69.05 -27.91 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -176.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.517 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 33.7 t70 -83.91 -23.19 31.3 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.521 0.677 . . . . 0.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.64 -24.15 55.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.401 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.517 ' NH1' ' HA ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -56.99 -16.36 6.83 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.227 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -58.11 -19.47 32.61 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.24 -23.34 57.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.081 0.467 . . . . 0.0 110.963 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.9 t -107.68 -33.27 2.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.709 0.766 . . . . 0.0 109.494 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.7 -164.69 1.21 Allowed 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.4 m -98.33 140.71 32.19 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -73.85 -57.54 3.91 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -129.91 -166.95 1.74 Allowed 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.36 -67.85 0.52 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--O 1.257 1.449 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 174.252 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.7 ttm . . . . . 0 CA--C 1.511 -0.543 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -84.43 141.81 39.77 Favored Pre-proline 0 C--N 1.305 -1.366 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.77 151.52 57.55 Favored 'Trans proline' 0 CA--C 1.549 1.257 0 C-N-CA 121.778 1.652 . . . . 0.0 111.057 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.58 122.22 11.42 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.189 2.593 . . . . 0.0 112.143 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.45 107.72 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.893 2.395 . . . . 0.0 111.795 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -81.52 132.35 35.31 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.119 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.4 mt -105.8 136.82 44.74 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.8 t -111.18 113.02 43.07 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-O 121.143 0.497 . . . . 0.0 110.141 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.1 tp -94.14 124.99 38.5 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -88.84 109.96 20.64 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.5 mt -73.28 -34.88 66.03 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.666 -174.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -68.71 -44.05 74.72 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.962 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -68.63 -31.76 71.14 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.353 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.79 -35.19 77.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.266 0.555 . . . . 0.0 109.528 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -74.3 -17.3 60.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.214 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -85.08 -21.03 29.5 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.303 0.573 . . . . 0.0 109.713 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -86.86 124.75 68.54 Favored Pre-proline 0 N--CA 1.442 -0.871 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -53.69 151.49 25.07 Favored 'Trans proline' 0 C--O 1.259 1.531 0 C-N-CA 123.158 2.572 . . . . 0.0 113.554 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -21.51 47.31 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -170.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -56.84 -47.64 79.88 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.732 0.696 . . . . 0.0 110.385 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -100.88 -30.99 11.37 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.754 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.92 -17.02 19.48 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.93 -64.03 4.08 Favored Glycine 0 N--CA 1.474 1.168 0 N-CA-C 114.803 0.681 . . . . 0.0 114.803 -175.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.47 -26.04 76.38 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.696 2.264 . . . . 0.0 112.523 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 3.5 tt -77.42 -40.66 42.68 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.45 ' NE2' ' HA ' ' A' ' 15' ' ' ALA . 17.1 mm-40 -56.46 -44.07 80.16 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.659 0.784 . . . . 0.0 110.674 175.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -46.07 85.91 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 123.768 0.668 . . . . 0.0 111.44 177.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -65.85 -47.56 74.54 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.82 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.21 89.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.104 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.58 91.53 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.085 0.469 . . . . 0.0 110.467 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 98.2 m -64.53 -42.85 95.48 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.811 177.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mm -61.83 -44.96 99.59 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -55.63 -44.2 76.87 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.422 0.629 . . . . 0.0 111.242 176.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m -68.08 -27.48 66.53 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.388 -177.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 31' ' ' THR . 23.6 mt-30 -88.19 -19.72 26.53 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.478 0.656 . . . . 0.0 110.105 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -78.81 -26.09 44.27 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.21 -58.16 3.54 Favored Glycine 0 N--CA 1.44 -1.074 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.035 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -112.27 134.31 53.89 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -67.33 128.51 36.68 Favored 'General case' 0 C--N 1.311 -1.085 0 O-C-N 124.071 0.857 . . . . 0.0 109.385 -176.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -63.67 -35.26 79.95 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.607 0.567 . . . . 0.0 112.18 -174.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.36 -105.1 0.64 Allowed Glycine 0 N--CA 1.435 -1.38 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.566 173.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -94.88 -36.07 11.78 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.662 0.744 . . . . 0.0 110.243 -176.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.95 171.92 16.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.614 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -141.11 129.73 22.75 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 p -86.73 115.4 24.15 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.11 0.481 . . . . 0.0 110.936 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.3 pt -119.31 159.39 20.14 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -82.15 159.0 23.43 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.805 -0.758 . . . . 0.0 112.128 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.593 ' NE2' ' H ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -51.18 -50.09 59.66 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 125.89 1.676 . . . . 0.0 112.362 177.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -82.13 -18.28 43.44 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 121.003 0.43 . . . . 0.0 111.565 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.79 -33.05 70.35 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.264 0.554 . . . . 0.0 110.072 -175.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.15 -29.28 70.67 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.775 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -68.44 -23.64 64.63 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.092 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 m -70.46 -33.41 71.26 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.036 0.446 . . . . 0.0 110.337 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.4 -37.26 86.44 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.743 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.95 -39.75 78.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.367 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.95 -40.67 89.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.067 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.7 mt -63.32 -39.51 85.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.963 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.463 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 3.0 m-85 -94.89 7.82 44.75 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.057 -175.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 61.5 30.86 18.97 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 123.876 0.87 . . . . 0.0 112.546 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -104.56 169.35 8.51 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.653 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.0 t -99.57 137.21 20.22 Favored Pre-proline 0 N--CA 1.415 -2.205 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.81 -32.83 38.59 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.554 2.836 . . . . 0.0 113.18 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 m -55.82 -56.3 22.21 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.945 0.898 . . . . 0.0 110.516 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -78.96 -25.81 13.19 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.313 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.48 -47.36 76.33 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.4 m -63.39 -38.1 89.84 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.32 -45.74 92.33 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.46 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.59 -53.84 52.65 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.75 0.82 . . . . 0.0 111.42 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.419 ' HB3' ' CB ' ' A' ' 75' ' ' LEU . 4.2 mm? -53.93 -42.67 69.05 Favored 'General case' 0 C--O 1.249 1.075 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.0 mt -68.15 -36.08 73.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-O 121.035 0.445 . . . . 0.0 110.764 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.3 m -69.9 -28.17 65.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.142 0.496 . . . . 0.0 111.379 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -84.21 -16.54 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.58 13.97 79.07 Favored Glycine 0 C--O 1.243 0.659 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -86.27 -28.28 6.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.511 0.672 . . . . 0.0 109.228 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.419 ' CB ' ' HB3' ' A' ' 69' ' ' LEU . 51.9 tp -118.74 135.78 54.31 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.88 132.56 51.17 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 123.962 0.789 . . . . 0.0 109.91 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.39 -37.01 46.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -172.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.41 -19.26 8.65 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.06 0.944 . . . . 0.0 112.524 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.99 53.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.792 0.437 . . . . 0.0 111.583 175.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -29.61 69.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.04 0.447 . . . . 0.0 110.179 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -76.03 -40.46 53.42 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.63 -46.38 82.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.654 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.4 t -72.61 -24.71 21.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.831 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 57.37 64.86 1.48 Allowed 'General case' 0 C--O 1.245 0.83 0 C-N-CA 124.388 1.075 . . . . 0.0 110.661 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.2 m -157.6 132.9 8.92 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.715 -1.129 . . . . 0.0 108.865 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -163.23 144.82 9.71 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -93.69 -16.75 23.94 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 171.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 94.05 -45.81 0.01 OUTLIER 'General case' 0 C--O 1.243 0.732 0 C-N-CA 128.326 2.65 . . . . 0.0 111.199 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.0 tp . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.948 -0.549 . . . . 0.0 109.573 176.913 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.0 tpp . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -95.95 142.24 24.29 Favored Pre-proline 0 C--N 1.31 -1.112 0 O-C-N 122.345 -0.222 . . . . 0.0 110.587 -176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -69.04 169.98 16.75 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.211 2.607 . . . . 0.0 112.076 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -43.03 129.59 5.71 Favored 'Trans proline' 0 C--N 1.367 1.534 0 C-N-CA 123.552 2.834 . . . . 0.0 112.347 175.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.55 116.74 3.41 Favored 'Trans proline' 0 C--O 1.253 1.256 0 C-N-CA 122.942 2.428 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -88.67 103.88 16.35 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 45' ' ' SER . 71.3 mt -83.25 97.5 8.9 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.905 -176.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m -93.89 112.57 27.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-O 121.488 0.661 . . . . 0.0 111.577 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 9' ' ' LEU . 3.9 pp -101.48 131.11 47.78 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -77.59 118.49 20.04 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.066 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -78.46 -16.42 57.58 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -84.43 -42.13 15.96 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -68.14 -33.52 74.63 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.919 174.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.42 -29.17 70.23 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.183 0.516 . . . . 0.0 109.847 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.58 -23.09 60.91 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.518 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.5 p -87.21 -10.34 52.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.884 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.6 t -81.77 129.16 66.23 Favored Pre-proline 0 C--O 1.241 0.634 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.5 142.93 80.06 Favored 'Trans proline' 0 C--O 1.252 1.222 0 C-N-CA 123.015 2.477 . . . . 0.0 113.111 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.88 -18.85 58.59 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.22 1.008 . . . . 0.0 111.659 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -54.26 -32.84 57.16 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.101 0.56 . . . . 0.0 110.997 174.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -118.69 -38.1 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.162 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.06 -2.03 58.37 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.18 -64.94 3.93 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 121.702 -0.285 . . . . 0.0 113.298 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.98 -20.99 57.35 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.237 1.958 . . . . 0.0 111.933 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.98 -42.75 59.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.272 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.88 -34.55 76.22 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.543 175.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -64.89 -49.81 69.01 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.05 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.471 ' O ' HG12 ' A' ' 32' ' ' ILE . 46.1 t80 -59.27 -47.26 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.761 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.33 85.01 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.05 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.08 77.56 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.506 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.1 m -65.28 -43.38 91.37 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 28' ' ' TYR . 49.2 mm -62.24 -44.88 99.63 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.93 -47.86 83.54 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.28 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 p -69.57 -36.9 76.72 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -60.78 -50.65 72.61 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.413 0.149 . . . . 0.0 111.039 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.41 -26.79 61.99 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.294 0.568 . . . . 0.0 109.853 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.71 41.21 51.01 Favored Glycine 0 N--CA 1.438 -1.213 0 N-CA-C 107.599 -2.201 . . . . 0.0 107.599 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -104.08 133.23 49.38 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.428 -0.886 . . . . 0.0 108.836 -173.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -100.29 12.04 38.01 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.631 0.729 . . . . 0.0 111.291 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -73.3 105.07 4.54 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.795 0.807 . . . . 0.0 110.576 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.85 23.73 25.14 Favored Glycine 0 C--N 1.302 -1.331 0 CA-C-N 114.385 -1.279 . . . . 0.0 112.072 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -98.15 -65.03 0.99 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.479 0.657 . . . . 0.0 109.931 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.84 127.69 18.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.9 tp -102.58 120.08 39.94 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 22.0 t -93.75 114.54 26.84 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -113.19 173.22 2.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 109.632 -0.506 . . . . 0.0 109.632 177.622 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -85.66 163.2 18.42 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.634 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.404 ' H ' ' CD ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -65.45 -24.17 67.11 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.642 0.734 . . . . 0.0 109.056 171.167 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.98 -34.97 79.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.143 174.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -75.9 -41.69 51.23 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.424 HD23 ' OG1' ' A' ' 66' ' ' THR . 31.8 tp -52.86 -48.95 66.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.103 176.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' HG21 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -68.07 -30.18 69.32 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 179.677 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.627 ' O ' HG13 ' A' ' 57' ' ' ILE . 89.5 m -71.87 -40.63 68.81 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.4 mt -54.34 -48.09 71.8 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.111 0.564 . . . . 0.0 110.161 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.71 74.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.231 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' ' 52' ' ' ARG . 95.5 t -69.47 -36.7 72.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.033 0.444 . . . . 0.0 110.533 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' ' 53' ' ' THR . 53.3 mt -67.32 -34.03 66.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.598 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -101.9 4.03 39.73 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.91 -175.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 61.88 34.75 16.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.92 0.888 . . . . 0.0 111.945 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -109.92 164.89 12.16 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.794 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.1 t -78.53 135.0 61.06 Favored Pre-proline 0 C--N 1.299 -1.599 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.1 -38.56 80.85 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.95 2.433 . . . . 0.0 112.083 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -64.01 -42.44 97.15 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.61 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.2 t -75.54 -39.47 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.423 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.5 tm? -56.68 -42.18 78.62 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 123.365 0.666 . . . . 0.0 109.215 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.424 ' OG1' HD23 ' A' ' 51' ' ' LEU . 59.8 m -58.12 -49.8 75.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.859 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.69 -40.22 95.0 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.411 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.406 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -56.97 -48.3 78.71 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.723 0.409 . . . . 0.0 111.222 178.516 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 65' ' ' LEU . 4.2 mm? -59.87 -35.43 74.8 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.238 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 90.5 mt -72.79 -38.19 56.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.341 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.4 m -63.36 -36.64 84.39 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.907 0.483 . . . . 0.0 111.466 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -76.91 -13.18 60.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.51 0.671 . . . . 0.0 109.978 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.87 30.0 49.4 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.0 t -98.63 -48.53 12.01 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.5 tp -95.73 143.55 26.88 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.68 139.54 57.85 Favored 'General case' 0 C--N 1.317 -0.804 0 O-C-N 123.426 0.454 . . . . 0.0 109.932 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.532 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -54.93 -42.12 71.88 Favored 'General case' 0 C--O 1.209 -1.069 0 C-N-CA 124.026 0.93 . . . . 0.0 113.272 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.46 -25.77 1.17 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.08 -30.91 68.43 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.427 0.291 . . . . 0.0 111.563 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 6.7 ptm180 -63.36 -34.84 78.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.097 0.475 . . . . 0.0 109.901 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' NH2' ' HB2' ' A' ' 88' ' ' GLU . 24.5 tpt180 -85.65 -30.55 23.14 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.237 -178.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.81 -50.06 73.8 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.561 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -109.84 79.64 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.375 0 CA-C-O 123.026 1.393 . . . . 0.0 109.56 174.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.06 168.61 8.94 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.215 -175.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.9 m -84.09 -41.04 17.56 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -112.62 110.64 20.92 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -78.71 144.7 35.04 Favored 'General case' 0 CA--C 1.489 -1.372 0 O-C-N 123.453 0.47 . . . . 0.0 110.788 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.46 ' HB2' ' NH2' ' A' ' 81' ' ' ARG . 8.6 tp10 -104.98 -15.83 15.0 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.431 -0.804 . . . . 0.0 108.996 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.9 tp . . . . . 0 N--CA 1.432 -1.347 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.723 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.7 mmm . . . . . 0 CA--C 1.507 -0.704 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.48 118.31 58.58 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -63.14 126.48 17.98 Favored 'Trans proline' 0 C--O 1.241 0.659 0 C-N-CA 122.465 2.11 . . . . 0.0 110.897 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -81.85 169.32 15.0 Favored 'Trans proline' 0 CA--C 1.552 1.379 0 C-N-CA 123.123 2.549 . . . . 0.0 112.894 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.89 132.66 48.08 Favored 'Trans proline' 0 C--N 1.363 1.341 0 C-N-CA 123.626 2.884 . . . . 0.0 111.737 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 6.6 mptt -96.51 132.77 41.74 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -175.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.75 96.81 10.63 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.0 t -104.18 124.34 58.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.5 tp -97.12 117.18 30.74 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.67 113.23 19.53 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.9 mt -80.08 -18.13 50.81 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.61 -46.92 11.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 120.962 0.411 . . . . 0.0 110.017 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.93 -28.36 68.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.17 0.51 . . . . 0.0 109.779 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.08 -33.9 74.07 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.833 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.81 -24.96 52.8 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 120.957 0.408 . . . . 0.0 111.411 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 p -77.85 -15.63 58.91 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.964 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -81.18 129.85 65.19 Favored Pre-proline 0 N--CA 1.44 -0.95 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -43.96 138.7 6.2 Favored 'Trans proline' 0 C--O 1.254 1.278 0 C-N-CA 124.116 3.211 . . . . 0.0 113.705 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.48 60.98 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 123.92 0.888 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.98 -28.35 62.27 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -112.47 -46.1 3.19 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 120.912 0.387 . . . . 0.0 110.649 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -88.08 -12.8 43.17 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -173.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -44.88 -71.37 0.48 Allowed Glycine 0 N--CA 1.481 1.659 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 -174.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -68.31 -22.89 39.22 Favored 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 122.214 1.943 . . . . 0.0 112.855 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.604 ' HB2' ' OH ' ' A' ' 58' ' ' TYR . 4.7 tt -66.71 -42.42 86.38 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 55.1 mt-30 -63.98 -30.07 71.17 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.751 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -68.22 -46.25 71.05 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.904 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.468 ' O ' HG12 ' A' ' 32' ' ' ILE . 63.6 t80 -53.86 -49.17 69.08 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.235 174.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.14 90.65 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.08 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.37 87.79 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 122.989 0.515 . . . . 0.0 111.091 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 64.1 m -64.79 -41.52 95.76 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.389 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 28' ' ' TYR . 50.7 mm -62.68 -41.33 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 121.241 0.543 . . . . 0.0 109.67 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.455 HE22 ' CB ' ' A' ' 39' ' ' TYR . 27.8 mm-40 -59.87 -40.87 90.13 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.403 176.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.3 m -70.54 -28.15 64.7 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.529 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 31' ' ' THR . 81.2 mm-40 -75.05 -40.65 60.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.594 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -90.31 -5.37 56.34 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 -57.3 4.63 Favored Glycine 0 C--O 1.239 0.461 0 C-N-CA 121.242 -0.504 . . . . 0.0 111.946 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -144.84 163.12 35.05 Favored 'General case' 0 N--CA 1.418 -2.04 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.518 ' CE2' ' HA ' ' A' ' 44' ' ' LEU . 13.4 t80 -153.89 -170.39 3.56 Favored 'General case' 0 N--CA 1.416 -2.168 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 178.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -58.81 -45.99 88.65 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 123.514 0.725 . . . . 0.0 109.983 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.7 -40.66 2.46 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.856 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -81.5 -41.42 21.74 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.404 0.621 . . . . 0.0 109.658 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.8 m -128.48 160.79 38.33 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.872 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.518 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 61.5 tp -135.46 118.73 16.66 Favored 'General case' 0 C--N 1.311 -1.081 0 C-N-CA 123.817 0.847 . . . . 0.0 109.302 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -80.43 122.62 27.19 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.4 pt -118.82 170.38 8.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -105.29 175.52 5.47 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -66.14 -28.32 68.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.927 0.394 . . . . 0.0 111.772 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -75.5 -31.09 60.05 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.379 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.73 -46.14 91.58 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.1 tp -56.41 -46.74 80.03 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.404 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.485 ' O ' HG22 ' A' ' 56' ' ' VAL . 64.2 mtt180 -64.36 -39.7 94.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.214 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.1 m -60.95 -36.81 80.36 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.0 0.429 . . . . 0.0 110.639 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.96 -34.51 77.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.347 0.594 . . . . 0.0 110.869 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.58 -32.84 66.31 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.122 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 52' ' ' ARG . 61.5 t -67.82 -33.53 62.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.727 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.1 mt -56.17 -46.58 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.555 0.693 . . . . 0.0 109.712 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.604 ' OH ' ' HB2' ' A' ' 25' ' ' LEU . 9.2 m-85 -93.25 -4.27 52.18 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.968 -174.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 60.7 58.56 2.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.984 1.373 . . . . 0.0 109.962 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -131.92 171.99 12.89 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.126 -1.397 . . . . 0.0 109.455 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.6 t -77.22 139.33 64.61 Favored Pre-proline 0 N--CA 1.425 -1.711 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.805 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -58.4 -29.97 89.91 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.539 2.16 . . . . 0.0 110.74 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 m -57.03 -53.82 53.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.838 0.855 . . . . 0.0 110.577 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -73.27 -30.6 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.732 -176.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 2.9 tm? -66.53 -44.08 83.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.8 m -63.64 -50.86 67.66 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.709 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.93 -32.27 73.74 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.655 -177.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -66.56 -49.23 67.09 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.399 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD21 ' CZ3' ' A' ' 72' ' ' TRP . 78.2 mt -57.9 -39.71 78.57 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.552 0.215 . . . . 0.0 111.47 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.89 -43.0 96.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.087 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.8 m -66.7 -32.45 73.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.45 ' CZ3' HD21 ' A' ' 69' ' ' LEU . 35.5 m0 -77.53 -17.41 57.96 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.031 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.84 20.75 57.38 Favored Glycine 0 C--N 1.321 -0.281 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.7 t -93.38 -40.4 11.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.021 0.438 . . . . 0.0 110.494 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.4 tp -94.93 141.57 28.5 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -54.27 137.36 41.51 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 124.022 0.826 . . . . 0.0 111.058 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.0 71.94 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.554 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 21.6 t70 -80.82 -20.14 43.1 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 121.744 -0.597 . . . . 0.0 111.086 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.68 -24.88 15.85 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.554 ' NH1' ' HA ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -62.24 -23.02 66.43 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.071 0.462 . . . . 0.0 111.176 -178.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -70.83 -13.69 62.13 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.04 -30.6 21.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.044 0.45 . . . . 0.0 111.001 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -97.14 -25.36 4.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.91 0.386 . . . . 0.0 111.896 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.37 -168.36 1.85 Allowed 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 87.9 p 59.69 178.45 0.08 Allowed 'General case' 0 C--O 1.257 1.469 0 C-N-CA 124.795 1.238 . . . . 0.0 113.071 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.415 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 57.3 t-80 72.94 131.63 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.028 1.331 . . . . 0.0 108.924 -175.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 86' ' ' HIS . 26.3 t70 79.13 123.04 0.05 OUTLIER 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.494 1.117 . . . . 0.0 109.125 -172.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 73.76 95.91 0.07 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.417 1.487 . . . . 0.0 108.441 -172.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.2 tp . . . . . 0 C--N 1.306 -1.309 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.874 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpt . . . . . 0 C--O 1.237 0.434 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 60.54 79.0 0.3 Allowed Pre-proline 0 N--CA 1.476 0.839 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -175.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -57.52 -49.29 13.97 Favored 'Trans proline' 0 CA--C 1.566 2.079 0 C-N-CA 122.856 2.371 . . . . 0.0 114.73 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.72 127.16 12.75 Favored 'Trans proline' 0 C--N 1.374 1.918 0 CA-C-N 121.026 1.402 . . . . 0.0 111.678 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -57.33 116.91 3.56 Favored 'Trans proline' 0 C--O 1.246 0.908 0 C-N-CA 123.192 2.595 . . . . 0.0 112.952 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -86.28 121.78 29.34 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 67.9 mt -117.35 131.84 56.71 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.427 0.632 . . . . 0.0 112.044 -170.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.6 t -110.81 116.52 52.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 74' ' ' VAL . 38.4 tp -102.2 128.75 48.57 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -177.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.43 108.29 16.49 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.6 mt -80.89 -23.21 39.15 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -176.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -79.44 -33.3 42.62 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -176.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -71.41 -36.89 71.51 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.1 tp -63.97 -36.81 85.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.317 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.85 69.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.429 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 p -89.99 -5.31 56.8 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t -82.55 128.31 67.17 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -38.68 138.67 0.49 Allowed 'Trans proline' 0 C--O 1.261 1.647 0 C-N-CA 124.588 3.525 . . . . 0.0 114.742 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.43 -23.97 63.12 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 124.551 1.14 . . . . 0.0 112.352 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -57.12 -34.53 68.47 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.204 0.526 . . . . 0.0 111.056 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -110.54 -53.84 2.65 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.841 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -90.39 -11.49 40.35 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -172.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.45 -65.21 3.44 Favored Glycine 0 CA--C 1.535 1.297 0 N-CA-C 114.195 0.438 . . . . 0.0 114.195 -175.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -62.7 -24.39 74.77 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.443 2.095 . . . . 0.0 112.365 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HG ' ' HH ' ' A' ' 58' ' ' TYR . 4.9 tt -75.21 -41.41 57.79 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 80.1 mt-30 -59.18 -39.76 83.56 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 121.097 0.475 . . . . 0.0 110.189 176.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -65.02 -43.68 91.66 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.433 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.439 ' O ' HG12 ' A' ' 32' ' ' ILE . 52.5 t80 -56.8 -51.16 70.03 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 174.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -55.93 -48.19 76.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.428 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.08 70.36 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.231 0.613 . . . . 0.0 111.62 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.9 m -73.13 -30.24 63.46 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.433 0.635 . . . . 0.0 109.767 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.442 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 49.8 mm -83.96 -31.52 8.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.681 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 27.6 mt-30 -49.46 -44.19 45.6 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.996 0.518 . . . . 0.0 111.769 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.4 p -64.14 -36.02 82.68 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -176.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 3.5 pt20 -78.59 -23.0 46.23 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.012 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -86.49 2.77 46.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.505 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.03 17.33 13.06 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.997 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 t70 75.88 -52.46 0.63 Allowed 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 125.651 1.58 . . . . 0.0 112.442 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.09 -5.89 59.31 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.011 -1.449 . . . . 0.0 113.349 -175.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -86.4 64.72 8.69 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 171.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.88 -2.08 3.19 Favored Glycine 0 N--CA 1.431 -1.7 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.382 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -80.3 -53.48 6.6 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 172.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.8 m -123.93 131.1 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.63 0 CA-C-N 113.17 -1.832 . . . . 0.0 106.234 171.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.1 tp -97.64 118.19 33.62 Favored 'General case' 0 C--N 1.281 -2.4 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -176.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -91.29 102.51 15.22 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.88 -179.93 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -175.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -103.48 163.7 12.12 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.111 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.541 ' NE2' ' H ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -64.85 -26.4 68.31 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.746 175.627 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.93 -38.87 87.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.612 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.52 -29.3 56.69 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.991 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.02 -37.61 88.06 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 48' ' ' GLN . 12.0 mmm180 -60.37 -44.05 96.0 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.031 177.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.51 ' O ' HG13 ' A' ' 57' ' ' ILE . 15.8 m -58.84 -47.3 85.34 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.068 178.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.9 mt -54.6 -49.04 71.37 Favored 'General case' 0 CA--C 1.516 -0.364 0 O-C-N 123.901 0.751 . . . . 0.0 111.287 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.11 -37.17 69.04 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.757 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.0 t -70.61 -38.05 71.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.668 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 53' ' ' THR . 34.3 mt -62.74 -38.46 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 -176.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.472 ' HH ' ' HG ' ' A' ' 25' ' ' LEU . 6.8 m-85 -98.23 1.27 47.11 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.293 -174.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 53.13 64.12 1.98 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.861 1.264 . . . . 0.0 109.464 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -140.97 147.12 38.25 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.629 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 t -63.81 140.15 97.77 Favored Pre-proline 0 C--N 1.307 -1.277 0 O-C-N 123.641 0.588 . . . . 0.0 109.978 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.51 -34.24 71.47 Favored 'Trans proline' 0 C--N 1.362 1.247 0 C-N-CA 123.15 2.567 . . . . 0.0 111.744 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 m -60.84 -53.35 58.41 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.244 0.618 . . . . 0.0 110.037 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 36.5 t -66.65 -39.43 83.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.727 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.44 -50.27 73.56 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.689 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -60.0 -46.51 89.23 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.511 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.17 -35.58 81.24 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 27.7 mm-40 -59.43 -53.99 51.76 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.9 0.381 . . . . 0.0 110.086 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mp -54.21 -43.47 70.83 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.226 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.3 mt -67.82 -38.53 80.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 m -72.6 -22.95 60.89 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.895 0.378 . . . . 0.0 111.151 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -86.49 -15.72 39.23 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 120.916 0.389 . . . . 0.0 110.026 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.69 22.48 55.76 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.417 ' O ' HD12 ' A' ' 9' ' ' LEU . 24.1 m -101.09 -8.06 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.452 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.2 tp -142.21 152.09 42.77 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -89.17 156.62 18.68 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.65 -16.69 64.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.174 0.989 . . . . 0.0 113.177 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -71.9 -27.75 63.04 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.424 0.63 . . . . 0.0 110.431 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.7 -24.24 65.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.794 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -58.1 -23.68 55.74 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.63 0.772 . . . . 0.0 111.478 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -74.48 -13.84 60.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.869 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.59 75.61 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.4 t -103.81 73.61 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.67 -175.33 2.94 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.715 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 m -70.95 133.19 46.19 Favored 'General case' 0 N--CA 1.433 -1.318 0 O-C-N 123.553 0.533 . . . . 0.0 109.764 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -134.59 -177.01 4.41 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.53 -3.29 49.58 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 121.282 0.563 . . . . 0.0 110.084 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -112.11 2.09 16.6 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 124.188 0.995 . . . . 0.0 109.432 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 N--CA 1.441 -0.878 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -177.317 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.452 ' SD ' ' HG2' ' A' ' 47' ' ' ARG . 92.2 mmm . . . . . 0 CA--C 1.501 -0.928 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -65.19 -53.17 42.38 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.046 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -65.69 124.82 13.31 Favored 'Trans proline' 0 C--N 1.379 2.164 0 N-CA-C 109.153 -1.134 . . . . 0.0 109.153 171.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -51.24 -46.77 29.31 Favored 'Trans proline' 0 CA--C 1.561 1.847 0 C-N-CA 123.012 2.475 . . . . 0.0 115.059 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -72.83 106.18 2.08 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 121.185 1.257 . . . . 0.0 113.907 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.32 150.27 40.99 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 113.932 -1.485 . . . . 0.0 108.897 174.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.519 ' O ' ' HA ' ' A' ' 45' ' ' SER . 2.7 mm? -82.01 97.56 8.17 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.187 0.517 . . . . 0.0 111.117 -173.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -89.81 117.22 32.69 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.85 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -112.99 126.86 55.95 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -82.53 115.31 21.46 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.5 mt -78.12 -26.39 47.92 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -73.9 -44.69 54.45 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -70.35 -29.17 65.79 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.99 -29.27 70.18 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.072 177.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.89 -6.68 59.34 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.115 0.484 . . . . 0.0 110.455 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -94.32 -20.48 19.73 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.243 0.544 . . . . 0.0 109.823 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -93.88 134.02 26.84 Favored Pre-proline 0 N--CA 1.434 -1.267 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -20.98 115.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.372 1.774 1 C-N-CA 126.586 4.857 . . . . 0.0 116.728 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.58 -23.25 66.92 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.815 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -75.32 -12.55 60.29 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.525 -0.734 . . . . 0.0 112.105 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -109.43 -47.94 3.32 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.902 0.382 . . . . 0.0 110.545 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -90.9 -11.56 38.79 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -44.57 -57.66 5.05 Favored Glycine 0 N--CA 1.484 1.857 0 N-CA-C 114.986 0.754 . . . . 0.0 114.986 -176.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -48.49 -44.14 30.97 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.968 2.446 . . . . 0.0 112.467 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.8 tp -72.48 -39.19 67.89 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.969 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 96.4 mt-30 -55.57 -42.11 74.25 Favored 'General case' 0 C--O 1.244 0.816 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 27.2 mtm180 -68.52 -51.14 46.36 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.028 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CE2' HD11 ' A' ' 54' ' ' LEU . 82.3 t80 -53.66 -44.94 70.06 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.86 0.864 . . . . 0.0 110.872 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.28 -48.29 79.28 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 123.167 0.587 . . . . 0.0 111.593 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.36 82.25 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.499 0.666 . . . . 0.0 109.992 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.0 m -63.5 -47.05 83.3 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.831 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.6 mm -64.64 -39.93 87.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.224 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.476 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 45.6 mt-30 -64.18 -38.43 91.04 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.487 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.0 m -65.48 -44.36 87.34 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.428 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.07 -36.02 82.63 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -78.25 -17.14 57.08 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.18 31.81 45.98 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.26 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 17.8 t70 -143.67 101.46 3.77 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 123.013 0.525 . . . . 0.0 109.619 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -97.11 83.54 3.36 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.14 -45.66 66.33 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.169 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.55 -26.37 2.3 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 114.985 0.754 . . . . 0.0 114.985 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -87.47 -60.01 2.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 117.453 0.627 . . . . 0.0 110.095 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 m -133.22 168.0 25.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.964 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.5 tp -135.77 150.82 49.6 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 41.2 m -140.49 110.47 6.51 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.95 175.12 2.42 Favored 'Isoleucine or valine' 0 C--O 1.25 1.098 0 CA-C-O 121.122 0.487 . . . . 0.0 110.912 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.452 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 65.9 mtm180 -85.65 163.98 17.96 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.21 -176.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 67.2 mt-30 -64.04 -34.43 78.0 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.91 0.862 . . . . 0.0 109.134 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.04 -34.81 78.86 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.046 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -74.54 -36.96 63.15 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.43 -30.46 71.24 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.419 0.628 . . . . 0.0 109.829 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 82.0 mtt180 -65.63 -33.4 75.82 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.043 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.463 ' O ' HG13 ' A' ' 57' ' ' ILE . 18.6 m -65.87 -39.62 90.85 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.372 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' A' ' 28' ' ' TYR . 10.2 mp -60.51 -39.24 87.06 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.12 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.95 -28.63 70.21 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.579 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -79.26 -35.66 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 53' ' ' THR . 47.0 mt -62.42 -48.97 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-O 121.486 0.66 . . . . 0.0 109.972 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -91.23 -2.17 57.53 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.392 -174.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.5 t70 50.34 67.44 0.92 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.362 1.465 . . . . 0.0 111.661 -176.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -139.63 173.5 11.47 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.068 -1.424 . . . . 0.0 108.35 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.7 p -90.01 144.95 32.14 Favored Pre-proline 0 C--N 1.299 -1.63 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.55 -31.35 58.78 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.815 2.343 . . . . 0.0 112.128 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.7 t -61.81 -56.77 15.99 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.4 p -72.24 -26.02 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.495 0.664 . . . . 0.0 110.404 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.483 ' O ' HD22 ' A' ' 69' ' ' LEU . 3.5 tm? -63.15 -49.96 72.28 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.0 m -64.45 -34.74 78.9 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.628 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.5 -48.3 77.48 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.751 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -62.44 -51.76 66.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.201 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 65' ' ' LEU . 4.4 mm? -55.71 -43.6 76.67 Favored 'General case' 0 C--O 1.249 1.026 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.2 mt -73.22 -37.49 52.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.77 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -66.05 -24.42 66.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 36.3 m0 -82.92 -15.71 50.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.048 0.452 . . . . 0.0 110.169 176.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.18 15.96 80.33 Favored Glycine 0 CA--C 1.499 -0.958 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.013 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.8 m -93.19 -24.76 5.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.2 tp -111.98 149.41 32.02 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.88 143.77 43.67 Favored 'General case' 0 C--N 1.308 -1.23 0 O-C-N 123.92 0.763 . . . . 0.0 110.337 -177.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.94 -24.12 63.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -176.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -85.57 -27.1 25.75 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.0 0.428 . . . . 0.0 111.81 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.65 38.84 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.436 1.094 . . . . 0.0 112.823 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -64.68 -20.94 66.6 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.178 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -67.17 -20.22 65.7 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.236 0.541 . . . . 0.0 110.807 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.04 -14.65 30.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.881 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.7 t -88.93 -37.74 10.48 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.86 29.31 0.13 Allowed 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.777 -1.102 . . . . 0.0 112.583 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.6 m -81.99 -8.07 59.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.724 0.773 . . . . 0.0 109.516 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -126.5 126.94 44.57 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 106.959 -1.496 . . . . 0.0 106.959 174.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -89.75 -45.91 8.96 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.095 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 71.15 -43.91 0.57 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.189 1.395 . . . . 0.0 111.415 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.249 1.029 0 C-N-CA 124.709 1.204 . . . . 0.0 108.78 174.327 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.0 mtm . . . . . 0 C--O 1.242 0.662 0 CA-C-O 120.608 0.242 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -166.58 159.95 11.79 Favored Pre-proline 0 N--CA 1.443 -0.793 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -60.18 147.22 94.25 Favored 'Trans proline' 0 C--O 1.24 0.621 0 C-N-CA 122.635 2.224 . . . . 0.0 112.56 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.7 172.68 15.76 Favored 'Trans proline' 0 CA--C 1.545 1.052 0 C-N-CA 122.503 2.135 . . . . 0.0 110.754 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.79 112.18 1.92 Allowed 'Trans proline' 0 CA--C 1.516 -0.39 0 C-N-CA 122.11 1.874 . . . . 0.0 109.877 174.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -87.96 132.43 34.24 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 121.214 0.53 . . . . 0.0 110.325 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.4 ' HG ' ' HB2' ' A' ' 51' ' ' LEU . 2.8 mm? -89.44 97.22 11.07 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.699 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.2 t -103.65 112.73 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.023 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.7 tp -90.69 108.23 19.68 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 11.5 t70 -72.37 105.81 4.25 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.3 mt -75.83 -25.91 56.71 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.455 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -67.39 -46.63 72.68 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.9 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -70.4 -33.62 71.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.091 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -61.58 -36.59 81.09 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.667 -178.575 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.93 -9.51 52.31 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.929 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 m -104.1 -0.77 28.25 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.041 0.924 . . . . 0.0 109.463 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.4 t -88.93 136.47 30.62 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -46.06 124.13 7.07 Favored 'Trans proline' 0 C--O 1.252 1.22 0 C-N-CA 123.1 2.533 . . . . 0.0 112.416 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.96 -18.3 56.4 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.874 0.87 . . . . 0.0 111.623 -177.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.7 -27.18 66.21 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.198 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -117.18 -31.24 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.17 0.51 . . . . 0.0 110.617 177.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.74 -17.06 54.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.54 -65.55 2.54 Favored Glycine 0 CA--C 1.534 1.25 0 N-CA-C 115.217 0.847 . . . . 0.0 115.217 -176.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -68.2 -20.69 43.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 122.148 1.899 . . . . 0.0 111.707 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.0 tp -71.43 -44.87 64.03 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.686 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -65.12 -38.15 89.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.762 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 2.5 mmp_? -60.8 -47.56 85.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.548 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -55.68 -65.06 0.66 Allowed 'General case' 0 CA--C 1.498 -1.023 0 CA-C-O 121.684 0.754 . . . . 0.0 110.065 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.3 -46.17 17.89 Favored 'General case' 0 C--N 1.28 -2.453 0 CA-C-N 113.253 -1.794 . . . . 0.0 113.191 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.93 -46.37 68.41 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 122.309 -0.245 . . . . 0.0 110.934 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.9 m -62.63 -43.49 98.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.707 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 mm -59.1 -48.43 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.041 0 O-C-N 123.167 0.292 . . . . 0.0 110.344 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.88 -32.75 74.37 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.9 m -69.59 -39.4 77.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.014 0.435 . . . . 0.0 110.08 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -71.94 -35.52 69.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 109.85 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.417 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . 5.5 mmm180 -73.0 -27.7 61.93 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.748 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.78 -41.62 2.99 Favored Glycine 0 C--N 1.307 -1.052 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' OD1' ' HB3' ' A' ' 36' ' ' ARG . 11.8 p-10 -85.55 98.87 10.88 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 122.319 1.057 . . . . 0.0 112.259 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -93.72 107.14 19.05 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -72.84 -51.79 17.43 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.79 -46.37 2.51 Favored Glycine 0 N--CA 1.439 -1.163 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.986 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -74.52 -53.87 8.63 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 121.692 0.758 . . . . 0.0 109.934 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.6 m -138.13 174.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.2 tp -143.89 124.51 14.07 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.3 t -101.33 111.57 23.83 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.511 ' HB ' ' CB ' ' A' ' 50' ' ' ASP . 33.3 pt -110.69 164.41 6.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.259 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -78.42 174.35 11.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.902 0.382 . . . . 0.0 110.363 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -68.41 -31.73 71.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 174.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.45 -37.45 87.57 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.926 -1.488 . . . . 0.0 110.724 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.511 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 9.2 m-20 -69.39 -38.7 78.09 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.083 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.4 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 44.8 tp -55.83 -43.18 76.73 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.503 0.668 . . . . 0.0 109.885 177.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.464 ' O ' HG22 ' A' ' 56' ' ' VAL . 79.6 mtp180 -66.05 -35.03 79.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.641 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.447 ' O ' HG13 ' A' ' 57' ' ' ILE . 87.7 m -61.96 -41.37 97.91 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.626 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.7 mp -55.15 -45.49 75.68 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.17 0.51 . . . . 0.0 110.592 176.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -33.83 75.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.361 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 52' ' ' ARG . 59.4 t -70.85 -34.91 57.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.349 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 53' ' ' THR . 49.5 mt -61.18 -44.29 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.571 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -96.36 -3.27 44.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.222 -173.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 55.85 64.78 1.63 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.924 1.345 . . . . 0.0 109.914 -172.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -124.71 156.98 36.75 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 113.693 -1.594 . . . . 0.0 108.31 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 m -87.23 131.56 44.05 Favored Pre-proline 0 C--N 1.28 -2.454 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 176.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -46.35 -33.36 12.3 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 123.954 3.103 . . . . 0.0 114.474 -176.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.636 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 24.1 m -57.9 -49.99 74.85 Favored 'General case' 0 C--O 1.204 -1.304 0 O-C-N 123.439 0.462 . . . . 0.0 110.745 177.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.69 -29.51 23.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.329 0.585 . . . . 0.0 109.681 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.82 -44.8 93.84 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.801 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.471 ' O ' HG13 ' A' ' 70' ' ' ILE . 13.3 p -67.24 -41.96 84.76 Favored 'General case' 0 N--CA 1.408 -2.566 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.684 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' A' ' 63' ' ' SER . 4.6 mm-40 -59.51 -41.85 90.84 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 123.909 0.755 . . . . 0.0 109.873 -177.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -55.77 -55.6 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.054 0.542 . . . . 0.0 110.832 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD23 ' CZ3' ' A' ' 72' ' ' TRP . 92.3 mt -61.75 -36.23 80.4 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.81 -177.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 66' ' ' THR . 80.6 mt -67.84 -43.64 85.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.1 m -66.36 -28.06 68.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.263 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.501 ' CZ3' HD23 ' A' ' 69' ' ' LEU . 40.3 m0 -80.46 -16.62 53.91 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.614 0.721 . . . . 0.0 109.665 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.28 23.68 31.17 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.746 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.72 -47.25 12.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-O 121.196 0.522 . . . . 0.0 110.603 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 36.0 tp -109.44 159.06 17.35 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.572 -175.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -100.86 156.31 17.44 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.0 -20.1 65.66 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.358 0.663 . . . . 0.0 111.985 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -57.03 -34.58 68.34 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.568 0.747 . . . . 0.0 110.629 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.66 -24.75 67.92 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.109 -0.95 . . . . 0.0 113.019 -177.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.4 mtp-105 -63.88 -23.6 67.41 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.128 0.489 . . . . 0.0 110.314 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -67.14 -13.57 62.08 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.955 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.31 -13.96 31.65 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.08 0.467 . . . . 0.0 111.046 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.3 t -99.36 -42.19 10.43 Favored 'Isoleucine or valine' 0 C--O 1.246 0.87 0 CA-C-O 121.418 0.628 . . . . 0.0 109.756 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -136.54 153.79 50.9 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.6 p 57.42 30.15 18.12 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.534 1.133 . . . . 0.0 112.515 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -77.18 148.19 36.05 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -117.55 177.54 4.71 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.635 -176.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -99.14 101.41 12.74 Favored 'General case' 0 N--CA 1.423 -1.779 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.435 ' H ' HD23 ' A' ' 89' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.294 -1.811 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.161 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 CA--C 1.5 -0.959 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -130.18 142.1 44.23 Favored Pre-proline 0 C--N 1.304 -1.393 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -65.01 146.43 87.46 Favored 'Trans proline' 0 C--O 1.245 0.836 0 C-N-CA 122.207 1.938 . . . . 0.0 110.227 175.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -54.6 114.92 2.06 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 123.464 2.776 . . . . 0.0 112.439 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.46 144.83 41.38 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.399 2.066 . . . . 0.0 111.844 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -112.03 132.61 54.7 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 175.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.4 mt -92.3 115.99 28.57 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.948 -172.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.1 t -93.79 114.05 29.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.156 -177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.2 tp -101.9 124.13 47.0 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -91.09 113.91 26.3 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.7 mt -80.18 -19.41 47.16 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.748 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -80.77 -41.46 23.41 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.968 0.89 . . . . 0.0 108.685 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.74 -38.63 91.63 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.508 -1.223 . . . . 0.0 107.759 176.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.6 -28.76 69.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.223 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.51 -12.25 60.0 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -97.53 -1.46 43.95 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-O 121.845 0.831 . . . . 0.0 108.993 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.6 t -97.67 128.57 33.91 Favored Pre-proline 0 C--N 1.313 -1.002 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -36.76 130.98 0.45 Allowed 'Trans proline' 0 C--O 1.254 1.29 0 C-N-CA 124.631 3.554 . . . . 0.0 113.864 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.7 -18.69 55.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.433 -176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -63.78 -35.85 81.95 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.323 0.582 . . . . 0.0 109.566 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -98.85 -46.18 5.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.449 0.642 . . . . 0.0 109.734 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.15 -8.98 58.36 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.61 -66.72 2.61 Favored Glycine 0 N--CA 1.472 1.066 0 N-CA-C 114.192 0.437 . . . . 0.0 114.192 -176.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.89 -24.36 74.26 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.361 2.041 . . . . 0.0 111.986 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 23.0 tp -71.43 -46.29 60.46 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -62.76 -38.96 92.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.408 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -60.76 -47.61 85.54 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.816 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -71.4 -34.17 70.13 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.006 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.79 95.84 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.59 0.356 . . . . 0.0 110.496 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.22 92.33 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.59 0.709 . . . . 0.0 109.725 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.6 m -63.41 -40.27 96.73 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.302 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.51 -40.21 87.48 Favored 'Isoleucine or valine' 0 C--O 1.246 0.903 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.516 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.26 -39.26 89.7 Favored 'General case' 0 C--O 1.208 -1.111 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.551 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.6 t -62.52 -43.14 99.54 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -56.99 -50.22 73.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.244 0.545 . . . . 0.0 111.02 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -79.96 -10.65 59.79 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.3 34.74 90.73 Favored Glycine 0 CA--C 1.516 0.145 0 N-CA-C 108.701 -1.759 . . . . 0.0 108.701 -172.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -85.81 149.3 25.35 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.426 -0.887 . . . . 0.0 110.465 -172.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -136.04 20.93 3.24 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.94 -173.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -73.71 -65.92 0.77 Allowed 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.758 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.12 -16.02 18.86 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.354 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -98.48 -62.3 1.26 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.052 0.453 . . . . 0.0 109.977 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.39 140.26 46.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.3 tp -120.88 127.36 51.8 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.1 t -95.4 118.9 32.97 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.3 pt -124.83 167.61 18.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.709 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -111.94 175.38 5.45 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.333 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -65.91 -30.9 71.57 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -69.28 -27.13 65.14 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -73.43 -57.07 4.26 Favored 'General case' 0 CA--C 1.485 -1.525 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.3 tp -57.46 -35.5 70.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.118 -174.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -65.37 -29.8 70.55 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.082 0.467 . . . . 0.0 110.75 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.45 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.1 m -72.21 -37.15 69.28 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.584 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.43 -34.0 75.91 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.312 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.04 86.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.92 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.81 -37.44 78.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.867 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 53' ' ' THR . 44.3 mt -65.82 -42.56 92.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.661 -178.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 6.0 m-85 -90.62 -1.45 57.88 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.083 0.468 . . . . 0.0 110.787 -175.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 68.75 48.61 0.76 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.783 1.233 . . . . 0.0 110.876 174.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -134.08 156.67 47.84 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.915 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.0 m -76.58 143.28 71.74 Favored Pre-proline 0 C--N 1.302 -1.458 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -42.47 -40.83 7.56 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 124.142 3.228 . . . . 0.0 114.408 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.6 p -60.4 -52.99 62.88 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-O 121.162 0.506 . . . . 0.0 111.267 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.03 -44.23 97.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 C-N-CA 123.735 0.814 . . . . 0.0 109.421 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.437 ' O ' HD21 ' A' ' 69' ' ' LEU . 3.4 tm? -56.46 -45.66 80.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.747 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.2 m -59.1 -46.2 88.91 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.799 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -64.92 -39.36 93.39 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.739 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.14 -53.43 58.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.437 HD21 ' O ' ' A' ' 65' ' ' LEU . 4.1 mm? -58.04 -41.88 84.19 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.77 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 93.4 mt -71.14 -35.11 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.9 m -65.77 -33.43 75.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.624 0.249 . . . . 0.0 110.939 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -78.5 -13.28 59.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.03 0.443 . . . . 0.0 110.599 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.26 19.18 79.57 Favored Glycine 0 CA--C 1.505 -0.575 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.975 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.8 m -96.0 -25.48 4.38 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.31 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.0 tp -111.84 135.38 52.53 Favored 'General case' 0 N--CA 1.422 -1.875 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -63.37 129.87 42.06 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 123.919 0.762 . . . . 0.0 109.674 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.11 -36.21 18.29 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 124.283 1.033 . . . . 0.0 112.545 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -53.83 -23.98 14.09 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.427 1.091 . . . . 0.0 112.935 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.01 -25.52 58.68 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.179 0.592 . . . . 0.0 112.114 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -23.54 66.62 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.872 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -72.46 -41.96 65.51 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.088 0.471 . . . . 0.0 111.263 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.38 -39.58 67.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.246 -175.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.3 t -84.06 -55.82 6.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.438 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 65.76 172.86 0.23 Allowed 'General case' 0 C--O 1.246 0.881 0 C-N-CA 124.647 1.179 . . . . 0.0 111.756 -176.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -128.62 5.34 5.59 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 121.581 0.705 . . . . 0.0 109.989 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -114.89 139.8 49.49 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.3 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -126.75 145.67 50.52 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.119 0.485 . . . . 0.0 111.689 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -142.87 -42.24 0.31 Allowed 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.302 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 C--O 1.254 1.297 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 174.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptm . . . . . 0 CA--C 1.503 -0.85 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.583 ' O ' ' HD2' ' A' ' 5' ' ' PRO . 39.3 mt-10 -96.5 131.95 27.36 Favored Pre-proline 0 N--CA 1.431 -1.398 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -56.42 -44.74 43.09 Favored 'Trans proline' 0 CA--C 1.568 2.186 0 C-N-CA 123.534 2.823 . . . . 0.0 116.02 176.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -42.14 -49.39 5.93 Favored 'Trans proline' 0 C--N 1.404 3.474 0 C-N-CA 122.528 2.152 . . . . 0.0 115.49 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.583 ' HD2' ' O ' ' A' ' 2' ' ' GLU . 54.3 Cg_exo -63.02 72.7 0.12 Allowed 'Trans proline' 0 C--N 1.384 2.415 0 C-N-CA 122.562 2.175 . . . . 0.0 114.125 173.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -93.38 122.75 36.12 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 174.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.9 mt -108.21 114.64 28.67 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.85 126.11 64.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 CA-C-O 121.356 0.598 . . . . 0.0 111.585 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.1 mt -106.64 123.15 47.69 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.617 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.15 104.02 8.46 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 173.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.39 -26.84 64.84 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.295 0.569 . . . . 0.0 110.465 -178.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.86 -37.55 81.99 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.119 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -75.21 -34.4 61.48 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.92 -31.3 72.35 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.686 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.2 -7.34 53.58 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.234 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -92.38 -13.93 29.41 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 122.116 0.96 . . . . 0.0 108.73 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.9 t -84.22 137.3 39.9 Favored Pre-proline 0 C--N 1.312 -1.04 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.8 135.41 13.6 Favored 'Trans proline' 0 C--N 1.363 1.333 0 C-N-CA 123.34 2.693 . . . . 0.0 112.119 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.16 -18.81 62.05 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 123.656 0.782 . . . . 0.0 112.566 -174.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.42 -40.22 90.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.938 0.399 . . . . 0.0 110.192 175.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -99.51 -35.33 9.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.769 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.37 -35.62 73.63 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.871 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.58 -56.43 22.24 Favored Glycine 0 CA--C 1.534 1.273 0 CA-C-O 119.537 -0.591 . . . . 0.0 114.28 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.65 -30.52 66.42 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 122.84 2.36 . . . . 0.0 112.683 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -83.68 -35.24 24.67 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.864 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.437 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 12.7 mm-40 -63.09 -32.78 74.24 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-O 120.806 0.336 . . . . 0.0 110.958 175.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -61.19 -40.17 92.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.231 0.539 . . . . 0.0 111.139 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.497 ' O ' HG12 ' A' ' 32' ' ' ILE . 51.4 t80 -72.25 -44.47 62.81 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -59.85 -43.74 94.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.93 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.77 84.16 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.653 0.74 . . . . 0.0 110.184 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.418 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 75.2 m -69.77 -41.95 74.46 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.277 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 28' ' ' TYR . 51.7 mm -60.2 -46.33 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 98.2 mt-30 -53.34 -56.48 16.39 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.229 0.538 . . . . 0.0 110.396 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.0 p -66.32 -39.11 89.06 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 31' ' ' THR . 80.6 mm-40 -69.51 -30.29 68.11 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 42.5 mtm180 -83.9 -21.62 31.86 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.57 19.27 68.85 Favored Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -176.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -124.37 118.32 26.45 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 123.391 0.676 . . . . 0.0 109.892 -174.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -97.9 104.84 16.91 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -128.25 119.65 25.59 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.95 16.37 23.11 Favored Glycine 0 C--N 1.304 -1.223 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.407 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -60.74 1.47 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.189 0.519 . . . . 0.0 109.936 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 m -136.28 152.9 30.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 tp -134.27 113.33 11.85 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.1 p -93.39 107.44 19.27 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-O 121.753 0.787 . . . . 0.0 110.058 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 pt -104.23 -179.58 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.552 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.74 -175.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -100.72 169.08 9.26 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.78 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -60.69 -30.03 69.68 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.471 175.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.61 -30.96 64.79 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.932 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.443 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 51.3 m-20 -70.19 -47.34 61.96 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.745 -177.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 tp -63.1 -35.99 82.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.425 0.631 . . . . 0.0 109.776 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -64.16 -44.57 91.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.137 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.527 ' O ' HG13 ' A' ' 57' ' ' ILE . 91.7 m -62.81 -38.63 91.46 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.082 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 50' ' ' ASP . 87.6 mt -57.17 -44.9 83.95 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.161 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.09 70.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.987 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.7 t -73.24 -41.21 58.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.929 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 53' ' ' THR . 39.4 mt -62.77 -51.11 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 121.164 0.507 . . . . 0.0 110.619 -178.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -83.49 -10.5 58.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.365 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.5 t70 62.9 59.06 1.42 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.785 1.234 . . . . 0.0 110.133 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -129.99 148.08 51.81 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.121 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m -69.84 142.13 90.59 Favored Pre-proline 0 C--N 1.301 -1.511 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -43.95 -45.54 11.48 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 124.015 3.143 . . . . 0.0 114.527 -176.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.48 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 44.5 t -62.82 -57.1 12.06 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.866 -0.111 . . . . 0.0 111.032 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.415 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 34.3 m -65.44 -33.84 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -176.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.52 -46.53 89.55 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 m -66.41 -37.8 86.03 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.676 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 63' ' ' SER . 38.5 mt-10 -57.64 -45.03 86.0 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.356 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -53.72 -59.82 4.12 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 123.849 0.718 . . . . 0.0 109.742 178.366 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.3 -40.81 78.6 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 98.7 mt -67.1 -41.86 87.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.97 0.414 . . . . 0.0 110.725 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.3 m -70.0 -32.77 71.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.462 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -72.48 -17.49 61.76 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.24 12.68 78.48 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.5 t -83.4 -38.89 14.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.502 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 48.9 tp -118.43 156.08 29.65 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -106.28 175.07 5.62 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.794 -1.162 . . . . 0.0 109.806 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -61.69 -42.76 99.36 Favored 'General case' 0 C--O 1.207 -1.141 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -171.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -47.27 -25.96 1.09 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.006 1.322 . . . . 0.0 114.058 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 83' ' ' VAL . . . -59.42 -31.88 69.68 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.574 0.349 . . . . 0.0 111.767 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 7.3 ptm180 -69.81 -27.92 65.28 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 121.2 0.524 . . . . 0.0 109.725 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -79.65 -39.25 31.86 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 5' ' ' PRO . . . -60.59 -37.64 82.03 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.308 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 79' ' ' ALA . 33.3 m -99.26 11.55 6.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 178.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 56.17 28.26 12.84 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.165 0.986 . . . . 0.0 112.696 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.8 m -121.57 83.8 2.14 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -93.98 -60.29 1.78 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -130.76 -39.09 1.26 Allowed 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.717 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -96.74 152.48 18.63 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.46 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 C--N 1.3 -1.546 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.086 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 mtt . . . . . 0 CA--C 1.5 -0.98 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.83 117.07 58.1 Favored Pre-proline 0 C--O 1.243 0.755 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -68.9 120.88 7.74 Favored 'Trans proline' 0 C--O 1.252 1.201 0 C-N-CA 122.699 2.266 . . . . 0.0 111.08 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -73.01 149.83 47.52 Favored 'Trans proline' 0 C--O 1.243 0.731 0 C-N-CA 122.656 2.237 . . . . 0.0 110.149 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.0 114.53 1.3 Allowed 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 123.694 2.93 . . . . 0.0 113.334 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -82.88 124.55 30.44 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.1 108.95 20.21 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.437 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 60.9 t -89.39 112.99 25.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.367 -176.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.8 tp -94.6 104.73 16.67 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.01 107.36 8.16 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -75.6 -28.82 59.05 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.391 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -63.88 -44.67 92.34 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.955 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -70.06 -47.75 60.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.585 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 tp -55.14 -41.52 71.87 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.702 0.801 . . . . 0.0 112.264 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.72 -17.3 64.78 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.0 m -91.52 -16.73 26.76 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-O 121.428 0.633 . . . . 0.0 110.491 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -77.96 129.92 74.48 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -44.6 139.59 7.04 Favored 'Trans proline' 0 C--N 1.366 1.45 0 C-N-CA 123.942 3.094 . . . . 0.0 113.998 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.18 -26.23 62.52 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 124.489 1.116 . . . . 0.0 112.062 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.11 -21.93 66.73 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.791 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -111.17 -52.65 2.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.903 0.382 . . . . 0.0 110.541 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.36 2.13 33.59 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -172.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.95 -60.81 8.25 Favored Glycine 0 N--CA 1.474 1.185 0 N-CA-C 114.448 0.539 . . . . 0.0 114.448 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.87 -22.37 63.29 Favored 'Trans proline' 0 C--O 1.244 0.811 0 C-N-CA 121.85 1.7 . . . . 0.0 111.635 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.0 tp -75.44 -41.51 55.65 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.853 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -62.74 -40.67 97.96 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -60.64 -50.06 75.03 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.224 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.444 ' O ' HG13 ' A' ' 32' ' ' ILE . 3.3 t80 -62.56 -45.16 94.19 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.739 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.35 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.866 0.467 . . . . 0.0 111.244 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.57 71.51 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.202 0.525 . . . . 0.0 110.429 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.415 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 41.1 m -71.85 -40.55 68.96 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.427 -0.806 . . . . 0.0 108.983 177.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 28' ' ' TYR . 62.5 mt -61.7 -41.46 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 176.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.82 -42.09 88.36 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.669 176.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.4 t -64.72 -44.73 89.24 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 31' ' ' THR . 96.1 mt-30 -64.43 -24.05 67.49 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.217 0.607 . . . . 0.0 111.381 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -95.11 -19.66 19.94 Favored 'General case' 0 C--N 1.313 -0.983 0 O-C-N 122.19 -0.319 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.78 40.01 58.88 Favored Glycine 0 C--O 1.238 0.374 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -89.87 142.76 27.39 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.277 -0.961 . . . . 0.0 111.82 -174.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -138.51 10.85 2.73 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.752 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -120.87 46.06 2.11 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.601 1.191 . . . . 0.0 108.052 -174.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.25 54.39 3.56 Favored Glycine 0 N--CA 1.434 -1.498 0 CA-C-N 114.348 -1.296 . . . . 0.0 115.58 -175.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -85.45 -44.38 12.79 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.33 144.75 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.833 0 CA-C-N 113.65 -1.614 . . . . 0.0 106.902 174.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.9 tp -125.19 124.1 41.02 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -84.32 107.28 16.52 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.7 pt -98.57 171.42 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.62 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.51 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -103.57 167.2 9.95 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -174.263 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -64.1 -49.14 73.41 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.482 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 10.6 t70 -67.66 -26.89 66.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.142 177.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -68.73 -46.97 67.51 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.56 -34.84 76.53 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.842 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.482 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 75.4 ttt180 -53.78 -43.95 69.69 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.274 1.029 . . . . 0.0 109.087 173.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.7 m -67.09 -49.93 63.35 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.234 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.07 -45.87 82.92 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.789 0.835 . . . . 0.0 113.036 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.413 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . . . -53.59 -39.86 65.2 Favored 'General case' 0 C--O 1.246 0.877 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.83 -32.78 56.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.399 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.44 -32.2 57.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.123 0.487 . . . . 0.0 109.93 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -101.06 7.5 43.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 -174.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 60.98 28.95 18.71 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.666 0.786 . . . . 0.0 111.649 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -103.26 139.24 38.97 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.613 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.5 t -65.74 135.52 95.57 Favored Pre-proline 0 N--CA 1.424 -1.761 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 172.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -49.57 -40.32 45.94 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.27 2.647 . . . . 0.0 112.135 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 m -60.3 -45.56 92.94 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.419 0.687 . . . . 0.0 110.421 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.5 t -74.88 -46.73 39.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.695 -177.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.413 ' HG ' ' HA ' ' A' ' 55' ' ' ALA . 3.2 tm? -55.81 -53.86 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.414 0.686 . . . . 0.0 110.533 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.457 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.3 m -58.37 -45.91 87.35 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.483 0.489 . . . . 0.0 110.812 -178.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.92 -28.36 65.53 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -61.05 -54.3 46.46 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.19 -41.17 87.88 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.433 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 66' ' ' THR . 91.9 mt -61.28 -46.15 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 176.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -65.67 -34.08 77.38 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -70.24 -16.97 63.11 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.977 0.894 . . . . 0.0 109.864 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.43 35.98 6.74 Favored Glycine 0 CA--C 1.483 -1.93 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.4 t -93.4 -48.06 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 CA-C-N 114.647 -0.776 . . . . 0.0 110.175 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 2.5 pt? -131.92 173.76 10.86 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.33 156.08 33.63 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.881 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.46 -12.89 60.95 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 124.168 0.987 . . . . 0.0 113.545 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.434 ' HA ' ' NH2' ' A' ' 81' ' ' ARG . 26.9 t70 -70.25 -19.61 63.11 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.01 0.524 . . . . 0.0 111.961 -177.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.48 -25.4 0.26 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -59.72 -29.88 68.43 Favored 'General case' 0 C--O 1.246 0.911 0 O-C-N 122.227 -0.296 . . . . 0.0 110.415 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.434 ' NH2' ' HA ' ' A' ' 78' ' ' ASP . 2.8 mpp_? -63.05 -22.99 67.24 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.28 -33.96 69.99 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.214 0.531 . . . . 0.0 110.703 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.7 t -104.54 -30.97 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.98 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.93 -15.86 52.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -175.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 t -65.74 -36.85 84.75 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.652 0.739 . . . . 0.0 109.026 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -112.74 62.88 0.63 Allowed 'General case' 0 N--CA 1.428 -1.575 0 CA-C-O 122.628 1.204 . . . . 0.0 109.28 177.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -76.7 103.69 6.8 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -130.52 -176.88 4.11 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.069 -171.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--N 1.307 -1.252 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 176.713 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.1 mmm . . . . . 0 CA--C 1.487 -1.447 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -79.34 122.06 83.61 Favored Pre-proline 0 N--CA 1.431 -1.404 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 175.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.468 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 30.6 Cg_endo -61.51 113.36 1.77 Allowed 'Trans proline' 0 C--O 1.246 0.9 0 C-N-CA 123.228 2.619 . . . . 0.0 114.463 -172.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -89.87 105.08 0.35 Allowed 'Trans proline' 0 N--CA 1.444 -1.39 0 C-N-CA 123.074 2.516 . . . . 0.0 110.116 175.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 3' ' ' PRO . 14.0 Cg_exo -70.45 125.3 11.64 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.574 2.183 . . . . 0.0 113.195 -177.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -90.0 139.72 30.33 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 173.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.5 mt -98.38 118.07 34.23 Favored 'General case' 0 C--N 1.286 -2.16 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -89.25 112.7 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.585 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.6 tp -93.84 121.98 35.85 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -81.52 109.2 15.75 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 41' ' ' GLY . 76.4 mt -80.02 -17.56 52.48 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.677 -175.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.26 -43.08 64.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.2 mmm180 -65.63 -39.63 91.67 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.367 174.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.54 -32.71 74.25 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.378 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.5 -22.73 54.1 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.543 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.41 -25.59 20.31 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.964 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 13' ' ' ARG . 96.9 t -68.12 129.24 93.11 Favored Pre-proline 0 C--O 1.241 0.639 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -45.93 137.94 12.54 Favored 'Trans proline' 0 C--O 1.261 1.648 0 C-N-CA 123.61 2.873 . . . . 0.0 113.664 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.28 -17.3 52.88 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.881 1.273 . . . . 0.0 111.847 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -50.1 -44.93 52.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -106.12 -49.4 3.38 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.387 -174.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.55 -7.52 57.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.77 -65.09 3.67 Favored Glycine 0 N--CA 1.473 1.119 0 N-CA-C 114.271 0.468 . . . . 0.0 114.271 -175.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -60.15 -26.13 81.73 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.575 2.183 . . . . 0.0 112.41 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.71 -39.11 67.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.915 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.79 -38.17 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.277 0.56 . . . . 0.0 109.516 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -70.95 -37.66 72.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.728 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -59.28 -46.4 88.64 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -61.6 -46.62 89.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.244 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.1 72.71 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.303 0.641 . . . . 0.0 110.813 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 85.6 m -63.32 -45.47 91.14 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.907 177.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.53 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 56.2 mt -63.25 -49.31 83.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 27.5 mt-30 -51.7 -53.8 35.2 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.91 0.884 . . . . 0.0 111.498 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 p -63.16 -37.76 88.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.559 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 31' ' ' THR . 28.2 mt-30 -65.96 -41.88 90.68 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 120.592 0.235 . . . . 0.0 110.878 178.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 22.9 mmt180 -77.15 -21.12 54.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.306 0.574 . . . . 0.0 110.492 -177.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.17 23.15 66.59 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -113.03 112.16 23.4 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 115.145 -0.528 . . . . 0.0 110.966 -176.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -100.97 71.91 1.45 Allowed 'General case' 0 N--CA 1.424 -1.771 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 172.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -78.95 -37.93 38.37 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 113.922 -1.49 . . . . 0.0 109.07 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . 68.54 -45.63 0.38 Allowed Glycine 0 C--O 1.21 -1.405 0 N-CA-C 117.943 1.937 . . . . 0.0 117.943 166.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.8 -37.9 67.4 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 117.77 0.785 . . . . 0.0 112.271 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.7 m -144.85 173.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.5 tp -151.09 140.63 21.59 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -95.73 111.46 23.4 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 pt -115.49 161.53 14.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -91.37 169.33 10.89 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.454 ' NE2' ' HD2' ' A' ' 5' ' ' PRO . 44.6 mt-30 -67.46 -29.7 69.23 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.038 0.923 . . . . 0.0 108.519 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.22 -28.57 62.24 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.276 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' HD12 ' A' ' 54' ' ' LEU . 11.7 m-20 -63.4 -44.53 94.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 174.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -53.71 -44.4 69.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.177 0.991 . . . . 0.0 109.284 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 43.4 mtp-105 -66.24 -35.38 80.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.073 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.449 ' O ' HG13 ' A' ' 57' ' ' ILE . 31.1 m -69.08 -39.87 78.8 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.079 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 50' ' ' ASP . 8.0 mp -54.05 -43.35 70.15 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.298 0.639 . . . . 0.0 111.317 176.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.89 -36.78 75.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.959 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.93 -42.45 79.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 53' ' ' THR . 42.5 mt -61.92 -48.25 89.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.17 -177.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -90.86 3.81 53.48 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.684 -0.407 . . . . 0.0 111.323 -173.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 57.37 62.52 2.14 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.93 0.892 . . . . 0.0 110.737 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -135.8 171.05 15.02 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.619 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.3 m -92.04 144.36 29.05 Favored Pre-proline 0 C--N 1.296 -1.728 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -51.79 -38.13 66.73 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.862 2.375 . . . . 0.0 112.228 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 5.9 m -58.11 -57.28 13.53 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.681 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.48 -27.15 35.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 121.037 0.446 . . . . 0.0 110.761 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 1.9 tm? -66.17 -40.49 90.54 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 m -67.44 -43.36 81.33 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 63' ' ' SER . 46.1 mt-10 -55.86 -51.61 66.92 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.155 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -57.17 -53.37 58.83 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 123.695 0.622 . . . . 0.0 111.281 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 65' ' ' LEU . 22.8 mt -61.04 -40.97 95.63 Favored 'General case' 0 C--O 1.249 1.06 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.65 -39.5 83.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-O 120.59 0.233 . . . . 0.0 110.455 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.4 m -68.72 -33.95 74.8 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -76.26 -17.54 59.43 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.34 0.59 . . . . 0.0 109.786 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.54 7.27 72.3 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.847 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.416 HG13 ' CB ' ' A' ' 13' ' ' ARG . 23.3 m -81.07 -19.23 11.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.135 0.493 . . . . 0.0 109.72 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.1 tp -129.83 146.09 51.57 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -77.96 151.29 33.75 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -59.9 -31.42 69.79 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.67 -20.76 36.01 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 118.246 0.475 . . . . 0.0 112.21 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.62 -29.84 71.03 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.031 -0.532 . . . . 0.0 112.095 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 7.5 ptm180 -60.9 -34.84 75.28 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.813 0.816 . . . . 0.0 109.968 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -84.25 -42.52 15.79 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.029 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.54 -53.27 54.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.134 -0.939 . . . . 0.0 112.026 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.8 t -77.45 -14.3 14.3 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 CA-C-O 121.208 0.528 . . . . 0.0 110.182 -176.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 64.16 68.67 0.55 Allowed 'General case' 0 C--O 1.243 0.716 0 C-N-CA 124.393 1.077 . . . . 0.0 110.577 -178.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 p -138.57 121.35 16.46 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.842 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -94.0 143.9 25.94 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 -177.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -76.65 117.62 18.47 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -145.98 100.03 3.34 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.696 -174.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 C--N 1.304 -1.391 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 175.689 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtm . . . . . 0 CA--C 1.504 -0.817 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -164.58 114.61 0.91 Allowed Pre-proline 0 N--CA 1.434 -1.263 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -78.98 140.49 16.02 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 121.895 1.73 . . . . 0.0 111.821 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -73.05 103.67 1.64 Allowed 'Trans proline' 0 C--O 1.241 0.626 0 C-N-CA 122.135 1.89 . . . . 0.0 108.226 170.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -91.96 127.02 0.94 Allowed 'Trans proline' 0 N--CA 1.438 -1.787 0 C-N-CA 122.329 2.02 . . . . 0.0 116.393 -167.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -115.73 99.4 7.28 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 169.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.12 114.91 11.82 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.663 -175.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.5 t -89.47 122.69 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.292 -177.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.4 mt -106.89 127.07 53.11 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.568 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -79.32 115.26 18.86 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.5 mt -80.37 -25.47 39.14 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -174.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -79.18 -34.8 42.71 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.132 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' O ' HG22 ' A' ' 17' ' ' VAL . 1.2 tpp180 -65.89 -38.48 88.87 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.5 tp -57.62 -40.31 78.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.773 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.65 -21.55 63.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.959 0.409 . . . . 0.0 111.566 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.9 p -94.36 10.41 34.4 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.369 0.604 . . . . 0.0 111.666 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 13' ' ' ARG . 94.3 t -101.13 136.0 19.8 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -38.42 134.86 0.75 Allowed 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 124.781 3.654 . . . . 0.0 114.365 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.14 -22.94 63.48 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.335 1.054 . . . . 0.0 112.789 -176.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.77 -33.39 74.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.618 0.723 . . . . 0.0 110.274 177.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -97.85 -53.8 3.29 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.495 -176.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -91.97 -8.72 45.38 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.16 -58.92 10.94 Favored Glycine 0 N--CA 1.47 0.955 0 O-C-N 123.423 0.452 . . . . 0.0 112.973 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -58.0 -34.12 98.03 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.162 1.908 . . . . 0.0 111.752 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.5 tp -71.94 -28.7 63.63 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.724 -177.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 72.9 mm-40 -58.43 -48.06 81.92 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 175.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -62.21 -51.08 69.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.791 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.478 ' CE2' HD13 ' A' ' 32' ' ' ILE . 84.0 t80 -54.53 -53.84 49.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.793 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.64 99.16 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.446 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.2 77.57 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.989 0.423 . . . . 0.0 111.054 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.6 m -66.91 -44.04 81.78 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.776 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.478 HD13 ' CE2' ' A' ' 28' ' ' TYR . 74.2 mt -56.52 -47.72 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 O-C-N 123.462 0.476 . . . . 0.0 109.725 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -59.46 -57.06 14.64 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.381 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -53.86 -42.89 69.07 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.063 0.945 . . . . 0.0 111.804 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -67.31 -34.02 76.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.903 0.383 . . . . 0.0 111.989 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -91.24 7.02 42.82 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.31 9.09 48.67 Favored Glycine 0 C--N 1.32 -0.333 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.551 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 78.49 139.47 0.07 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.5 1.52 . . . . 0.0 112.428 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -134.6 -177.03 4.42 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.88 -177.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.47 ' C ' ' H ' ' A' ' 42' ' ' LYS . 88.1 m-20 -71.35 116.96 12.29 Favored 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.85 21.75 0.59 Allowed Glycine 0 C--N 1.296 -1.682 0 CA-C-N 115.414 -0.812 . . . . 0.0 114.529 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 40' ' ' ASN . 50.8 mtmt -100.58 -49.55 4.17 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 123.631 0.772 . . . . 0.0 109.723 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.4 m -140.49 142.82 30.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.323 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 53.8 tp -122.54 154.86 37.33 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.2 m -135.36 127.78 30.43 Favored 'General case' 0 C--N 1.31 -1.146 0 O-C-N 122.034 -0.417 . . . . 0.0 110.781 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 pp -137.97 176.49 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 122.824 0.45 . . . . 0.0 111.334 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -94.74 167.61 11.34 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.584 0.707 . . . . 0.0 112.111 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -57.34 -38.06 73.54 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.587 -1.188 . . . . 0.0 113.174 -175.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -76.46 -23.72 53.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.631 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -77.17 -42.85 36.04 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.5 tp -64.43 -28.6 69.79 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.203 0.525 . . . . 0.0 110.941 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -67.31 -22.23 65.63 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.95 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.541 ' O ' HG13 ' A' ' 57' ' ' ILE . 22.9 m -61.48 -31.85 71.84 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.595 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.44 -34.86 76.13 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.027 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.19 -33.6 76.39 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.589 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.6 t -75.26 -38.5 41.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.23 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 53' ' ' THR . 48.6 mt -61.54 -50.69 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.793 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.0 -1.83 58.23 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.317 -175.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 53.54 66.16 1.31 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.491 1.138 . . . . 0.0 111.808 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -142.54 167.3 22.41 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 113.774 -1.557 . . . . 0.0 108.212 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.0 t -83.59 147.85 53.5 Favored Pre-proline 0 C--N 1.303 -1.428 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.86 -29.98 45.59 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 123.172 2.581 . . . . 0.0 112.156 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m -56.59 -45.95 81.11 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.189 0.996 . . . . 0.0 112.139 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.5 -28.11 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.216 0.531 . . . . 0.0 109.978 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -64.4 -54.77 27.49 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.052 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 t -63.3 -34.66 78.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.94 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.45 -37.28 86.97 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.852 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -63.88 -54.25 37.74 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 110.617 -0.142 . . . . 0.0 110.617 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.03 -41.39 71.29 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 123.396 0.435 . . . . 0.0 111.974 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.9 mt -72.23 -37.5 59.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.596 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.5 p -68.81 -28.45 66.76 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.811 -0.555 . . . . 0.0 112.001 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.7 m0 -80.82 -16.73 52.97 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-O 121.014 0.435 . . . . 0.0 110.46 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.58 16.18 71.59 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.199 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.1 t -82.92 -36.38 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.4 tp -116.45 144.31 44.47 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -67.55 144.3 55.69 Favored 'General case' 0 C--O 1.241 0.646 0 O-C-N 123.776 0.672 . . . . 0.0 110.598 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.02 -33.97 69.54 Favored 'General case' 0 C--O 1.197 -1.698 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.9 -20.29 33.29 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.62 -24.34 60.82 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.159 0.584 . . . . 0.0 111.82 -178.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 80' ' ' ARG . 12.7 ptm180 -50.59 -31.52 16.15 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.531 1.132 . . . . 0.0 111.958 176.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -68.71 -26.88 65.5 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.684 0.278 . . . . 0.0 111.266 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.92 -44.56 15.21 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.986 0.422 . . . . 0.0 110.38 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 p -75.35 -16.88 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.317 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.64 103.11 0.22 Allowed 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.616 0.722 . . . . 0.0 109.58 176.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.5 m -97.64 -177.78 3.91 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.59 -175.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -60.37 144.58 50.46 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 175.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.18 104.54 5.01 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.553 0.692 . . . . 0.0 111.721 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -117.84 154.81 31.18 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.296 -1.741 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 CA--C 1.548 0.873 0 CA-C-O 121.532 0.682 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.59 112.37 28.47 Favored Pre-proline 0 C--N 1.313 -0.981 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -174.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -87.21 169.83 7.19 Favored 'Trans proline' 0 C--O 1.246 0.899 0 C-N-CA 122.617 2.211 . . . . 0.0 112.018 -175.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -61.37 125.32 16.6 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 N-CA-C 107.439 -1.793 . . . . 0.0 107.439 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -31.19 108.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 124.96 3.773 . . . . 0.0 114.286 -174.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -75.36 114.22 13.65 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 45' ' ' SER . 67.8 mt -85.11 96.74 9.54 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.253 -175.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.8 t -99.46 112.66 32.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -99.55 129.27 45.7 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.8 t70 -85.25 106.59 16.78 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 mt -75.55 -17.55 60.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.107 -174.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -73.47 -42.65 61.63 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' O ' HG22 ' A' ' 17' ' ' VAL . 31.1 tpt180 -61.67 -32.88 73.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.255 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.33 -12.34 61.58 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.455 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.73 -29.36 32.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.994 0.426 . . . . 0.0 110.056 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p -88.72 -10.61 47.77 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.31 0.576 . . . . 0.0 111.961 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 13' ' ' ARG . 97.2 t -91.3 132.05 34.93 Favored Pre-proline 0 C--N 1.312 -1.034 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 175.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.06 140.95 6.84 Favored 'Trans proline' 0 C--O 1.253 1.247 0 C-N-CA 123.559 2.84 . . . . 0.0 113.864 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -17.74 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.157 0.983 . . . . 0.0 111.687 -177.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -75.24 -12.32 60.26 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.52 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -113.17 -53.07 2.74 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.95 -7.62 36.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -173.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.503 ' O ' ' HG2' ' A' ' 27' ' ' ARG . . . -59.77 -61.86 6.75 Favored Glycine 0 C--N 1.314 -0.648 0 CA-C-O 119.513 -0.604 . . . . 0.0 113.61 -177.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.42 -22.89 65.53 Favored 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 121.973 1.782 . . . . 0.0 111.81 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.521 ' HB2' ' OH ' ' A' ' 58' ' ' TYR . 4.1 tt -70.57 -46.49 63.4 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 177.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -64.63 -31.42 72.64 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.417 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 35.3 mmt180 -61.32 -50.3 73.53 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 175.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.437 ' O ' HG12 ' A' ' 32' ' ' ILE . 52.5 t80 -56.83 -48.22 78.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.424 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.09 -50.9 71.36 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.363 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.8 83.58 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.444 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 68.1 m -61.95 -46.9 87.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.65 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 49.4 mm -59.53 -45.26 94.06 Favored 'Isoleucine or valine' 0 C--O 1.249 1.054 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -57.78 -54.51 46.03 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 123.728 0.642 . . . . 0.0 110.257 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 p -67.91 -31.94 72.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 31' ' ' THR . 81.6 mm-40 -65.65 -41.67 92.3 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.537 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 6.3 ptm180 -88.52 -12.09 43.87 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.008 177.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.67 29.93 74.29 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.691 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -98.01 -170.53 1.99 Allowed 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.162 -176.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -122.36 -178.75 3.97 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -171.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.8 t30 72.41 90.26 0.09 Allowed 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.227 0.955 . . . . 0.0 112.189 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.44 30.41 9.91 Favored Glycine 0 N--CA 1.434 -1.461 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.095 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -95.95 -29.45 14.15 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.096 0.474 . . . . 0.0 109.796 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.5 m -143.38 138.37 26.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 123.938 0.895 . . . . 0.0 109.577 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.5 tp -124.79 124.2 41.62 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 18.8 m -101.52 110.13 22.07 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.444 ' HB ' ' CB ' ' A' ' 50' ' ' ASP . 38.5 pt -105.73 171.3 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -98.73 -178.95 4.14 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.252 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -60.73 -49.96 75.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.664 0.785 . . . . 0.0 111.672 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -69.21 -21.75 63.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.424 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 78.9 m-20 -70.13 -45.93 65.84 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.382 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.5 tp -60.02 -38.43 82.65 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.744 0.783 . . . . 0.0 109.477 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.2 mtp180 -61.67 -44.3 97.22 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.679 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.3 m -64.83 -34.91 79.49 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.221 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.14 -37.61 83.46 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.115 0.483 . . . . 0.0 111.151 174.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.7 81.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.137 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 52' ' ' ARG . 65.9 t -67.7 -30.13 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.506 -177.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.8 mt -59.16 -41.62 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-O 121.628 0.728 . . . . 0.0 109.475 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.521 ' OH ' ' HB2' ' A' ' 25' ' ' LEU . 7.8 m-85 -97.15 -0.56 46.74 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.663 -175.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 63.52 31.99 14.48 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 122.128 0.966 . . . . 0.0 110.562 -176.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -103.5 166.73 10.25 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.404 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.5 t -89.2 142.88 30.3 Favored Pre-proline 0 C--N 1.29 -2.013 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -54.1 -27.5 46.48 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.459 2.773 . . . . 0.0 113.429 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.7 m -64.44 -56.68 12.63 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 122.53 0.332 . . . . 0.0 111.365 -178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.35 -26.35 31.33 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 121.609 0.719 . . . . 0.0 109.971 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.4 tm? -65.25 -53.61 41.78 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.706 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.6 t -65.64 -31.92 73.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.316 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -63.92 -44.71 92.08 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 123.114 0.259 . . . . 0.0 110.912 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.85 -46.53 84.6 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.817 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 65' ' ' LEU . 3.5 mm? -52.84 -42.55 65.29 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.862 0.465 . . . . 0.0 112.222 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.2 mt -75.25 -36.56 37.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 120.902 0.382 . . . . 0.0 110.336 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.8 t -73.44 -30.41 63.18 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 45.1 m0 -73.1 -16.65 61.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.322 0.582 . . . . 0.0 109.509 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.95 25.12 46.4 Favored Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.583 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 10' ' ' ASP . 2.9 p -101.23 -31.71 3.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 O-C-N 122.612 -0.346 . . . . 0.0 110.919 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -109.92 146.43 35.19 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.13 148.94 51.19 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.228 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.31 96.48 Favored 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 123.279 0.631 . . . . 0.0 112.378 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.85 -20.03 63.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.421 0.689 . . . . 0.0 111.894 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.18 -23.82 56.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.529 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -43.17 -31.46 0.59 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.331 1.452 . . . . 0.0 112.838 176.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -72.56 -14.11 61.55 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -175.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.76 -53.8 54.14 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 123.454 0.471 . . . . 0.0 111.686 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.7 m -100.07 16.1 4.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-O 121.597 0.713 . . . . 0.0 110.651 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.52 -64.49 1.14 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.217 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.5 p -151.51 87.77 1.39 Allowed 'General case' 0 N--CA 1.421 -1.885 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.37 -176.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -100.25 156.32 17.28 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 172.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 76.83 -31.34 0.18 Allowed 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.659 1.184 . . . . 0.0 111.682 -173.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -82.37 80.86 8.43 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 171.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 -178.121 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 CA--C 1.504 -0.801 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.48 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 34.7 tt0 -65.62 -50.17 57.4 Favored Pre-proline 0 CA--C 1.554 1.123 0 O-C-N 124.064 0.853 . . . . 0.0 109.406 173.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.48 ' HD3' ' HB3' ' A' ' 2' ' ' GLU . 16.3 Cg_exo -72.95 115.89 4.52 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 121.339 1.359 . . . . 0.0 108.946 171.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.57 147.85 58.56 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.474 2.116 . . . . 0.0 112.361 -175.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.17 129.78 29.87 Favored 'Trans proline' 0 C--O 1.245 0.837 0 C-N-CA 123.368 2.712 . . . . 0.0 113.368 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -92.37 140.53 29.49 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.94 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.5 mt -107.53 140.82 39.93 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.342 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -97.94 119.98 46.68 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.754 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.8 tp -103.34 126.19 50.37 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -85.52 115.11 23.04 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.05 -28.77 60.53 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -174.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -78.93 -38.21 37.87 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -67.73 -33.81 75.62 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.55 -40.86 88.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.296 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.72 -9.08 58.22 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.601 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 m -92.83 -8.0 44.77 Favored 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 122.051 0.929 . . . . 0.0 109.047 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.9 t -86.87 140.19 33.05 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.392 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -45.01 141.04 6.62 Favored 'Trans proline' 0 CA--C 1.554 1.517 0 C-N-CA 123.828 3.019 . . . . 0.0 113.385 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.43 63.3 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.198 1.399 . . . . 0.0 113.901 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -69.42 -7.13 34.91 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -123.31 -37.92 2.63 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.079 0.466 . . . . 0.0 110.295 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 -39.79 37.87 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.68 -62.24 3.37 Favored Glycine 0 N--CA 1.475 1.287 0 N-CA-C 115.029 0.772 . . . . 0.0 115.029 -173.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.32 -32.93 97.17 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.514 2.143 . . . . 0.0 112.535 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.1 tp -78.17 -33.04 50.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.546 -178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -66.41 -37.68 85.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -62.25 -48.35 80.36 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.174 174.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' O ' HG12 ' A' ' 32' ' ' ILE . 37.3 t80 -55.22 -50.55 69.13 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.969 0.793 . . . . 0.0 109.303 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -58.23 -46.92 85.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.95 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.48 79.66 Favored 'General case' 0 C--O 1.247 0.956 0 C-N-CA 122.729 0.412 . . . . 0.0 110.956 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.8 m -64.64 -48.08 76.15 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 28' ' ' TYR . 46.6 mm -56.63 -51.2 69.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 C-N-CA 123.21 0.604 . . . . 0.0 110.934 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.4 mm100 -51.94 -45.81 64.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.606 0.762 . . . . 0.0 110.521 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 m -74.16 -46.16 44.12 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.999 -1.001 . . . . 0.0 112.979 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.441 HE21 HD13 ' A' ' 32' ' ' ILE . 30.0 pt20 -75.27 -30.13 60.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -83.07 -26.29 31.25 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.005 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.27 26.36 36.79 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -127.63 93.46 3.71 Favored 'General case' 0 CA--C 1.489 -1.38 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.175 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -87.44 74.21 9.4 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -81.59 109.99 16.54 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.61 -53.1 47.72 Favored Glycine 0 C--N 1.299 -1.497 0 N-CA-C 117.002 1.561 . . . . 0.0 117.002 -170.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.412 ' HG3' HG13 ' A' ' 43' ' ' VAL . 22.4 tptm -82.83 -50.99 8.06 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 117.644 0.722 . . . . 0.0 112.748 -173.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.412 HG13 ' HG3' ' A' ' 42' ' ' LYS . 35.6 m -127.76 166.19 25.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 CA-C-O 121.011 0.434 . . . . 0.0 111.186 -175.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.498 HD11 ' OE1' ' A' ' 33' ' ' GLN . 51.1 tp -133.84 128.55 34.91 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.0 p -103.89 118.49 36.81 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.439 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.3 pt -119.79 170.38 9.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -102.71 179.31 4.32 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.5 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.45 ' NE2' ' H ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -68.58 -23.83 64.53 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.32 177.324 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.457 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 5.3 p-10 -71.72 -27.15 62.81 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -76.44 -44.43 35.81 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 tp -56.15 -47.3 78.46 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.379 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -59.53 -38.31 80.68 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 121.226 0.536 . . . . 0.0 110.101 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.527 ' O ' HG13 ' A' ' 57' ' ' ILE . 87.3 m -67.46 -34.18 76.65 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.874 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 99.1 mt -59.12 -42.75 91.31 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.071 0.462 . . . . 0.0 109.912 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.34 -32.51 73.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.56 -43.01 41.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.457 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 53' ' ' THR . 38.9 mt -71.9 -42.66 69.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.703 -176.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -90.46 -0.7 57.76 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.885 -175.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 48.02 68.3 0.69 Allowed 'General case' 0 C--O 1.244 0.799 0 C-N-CA 125.926 1.69 . . . . 0.0 112.804 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -138.54 144.42 39.91 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 m -63.12 137.45 97.07 Favored Pre-proline 0 C--N 1.288 -2.099 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -45.42 -40.01 17.14 Favored 'Trans proline' 0 N--CA 1.486 1.051 0 C-N-CA 123.93 3.087 . . . . 0.0 114.565 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -61.64 -57.07 13.46 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.228 0.211 . . . . 0.0 110.795 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.434 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 14.6 p -66.95 -30.05 48.31 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.136 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.35 -50.19 74.52 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 m -63.32 -40.55 97.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.964 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -59.7 -44.44 93.67 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.211 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 15.1 mm-40 -55.92 -55.34 33.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.031 0.532 . . . . 0.0 110.537 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.54 -41.52 76.95 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.374 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.2 mt -68.09 -40.55 83.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.69 177.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.9 m -66.07 -31.74 72.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.537 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -79.44 -16.69 55.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.02 0.438 . . . . 0.0 110.112 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.14 23.23 61.65 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.2 t -93.24 -24.08 5.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.8 tp -124.79 155.61 39.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.001 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.21 150.13 47.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -71.6 -44.67 64.02 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -59.17 -19.63 46.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.196 1.399 . . . . 0.0 112.604 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.53 -25.03 15.12 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.891 0.877 . . . . 0.0 111.514 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 14.1 ptm180 -56.7 -20.88 24.07 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 123.794 0.838 . . . . 0.0 111.813 176.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -73.31 -21.02 60.67 Favored 'General case' 0 C--O 1.243 0.711 0 O-C-N 122.219 -0.301 . . . . 0.0 111.09 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.16 -26.33 67.37 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.898 0.38 . . . . 0.0 110.194 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.9 p -154.46 87.33 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 CA-C-O 122.442 1.115 . . . . 0.0 109.41 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.32 67.55 8.39 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.64 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.8 m 68.34 -74.31 0.08 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.463 1.505 . . . . 0.0 110.829 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 55.82 26.51 9.68 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.728 1.211 . . . . 0.0 112.663 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 88' ' ' GLU . 19.8 t70 -87.37 -88.2 0.14 Allowed 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 9.3 tp10 174.81 -73.07 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.367 0.667 . . . . 0.0 110.896 173.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.2 tp . . . . . 0 C--N 1.31 -1.115 0 CA-C-O 118.677 -0.678 . . . . 0.0 109.963 -175.612 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 CA--C 1.516 -0.363 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -71.63 136.62 83.24 Favored Pre-proline 0 N--CA 1.445 -0.711 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -45.22 -46.58 13.58 Favored 'Trans proline' 0 CA--C 1.564 2.024 0 C-N-CA 123.832 3.021 . . . . 0.0 115.428 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.35 119.07 6.08 Favored 'Trans proline' 0 C--N 1.387 2.601 0 C-N-CA 121.84 1.694 . . . . 0.0 111.444 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -55.27 116.65 3.3 Favored 'Trans proline' 0 C--O 1.248 0.98 0 C-N-CA 123.249 2.632 . . . . 0.0 113.082 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -97.14 115.67 27.95 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.1 mt -96.05 107.4 19.7 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.08 113.69 26.06 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 CA-C-O 121.476 0.655 . . . . 0.0 111.306 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 tp -94.98 111.56 23.34 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.15 114.65 17.23 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.9 mt -72.27 -37.76 68.98 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 123.249 0.62 . . . . 0.0 111.386 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -75.63 -42.58 51.2 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.185 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' O ' HG22 ' A' ' 17' ' ' VAL . 22.3 tpt180 -64.69 -40.2 94.96 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD21 ' HG ' ' A' ' 25' ' ' LEU . 52.8 tp -63.38 -30.63 71.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.071 0.462 . . . . 0.0 110.548 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.91 -19.25 61.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.6 p -95.21 -0.85 52.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.162 0.506 . . . . 0.0 110.827 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 13' ' ' ARG . 92.9 t -89.16 133.43 35.15 Favored Pre-proline 0 C--O 1.244 0.79 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -41.71 130.43 3.96 Favored 'Trans proline' 0 C--O 1.253 1.245 0 C-N-CA 124.174 3.25 . . . . 0.0 114.053 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -17.97 64.07 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.037 0.935 . . . . 0.0 110.74 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -55.5 -34.24 64.43 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 124.407 1.083 . . . . 0.0 110.754 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -122.46 -33.91 3.36 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.988 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.25 -5.75 59.12 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -177.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.01 -62.55 6.16 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 119.766 -0.463 . . . . 0.0 113.808 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -61.89 -24.7 77.38 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 122.336 2.024 . . . . 0.0 112.012 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.403 ' HG ' HD21 ' A' ' 14' ' ' LEU . 29.3 tp -78.14 -35.56 48.85 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.725 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -62.4 -34.17 76.21 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 110.117 173.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -67.12 -48.83 66.93 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.769 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.48 ' CE1' HD13 ' A' ' 32' ' ' ILE . 45.6 t80 -57.87 -49.11 77.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.497 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.98 91.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.354 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.67 96.22 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.48 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.8 m -61.33 -39.28 89.97 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 123.58 0.55 . . . . 0.0 110.786 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.48 HD13 ' CE1' ' A' ' 28' ' ' TYR . 59.5 mt -66.51 -49.1 77.94 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.194 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -57.78 -33.88 68.99 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 p -70.86 -48.19 55.21 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.51 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -76.47 -18.21 58.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 111.584 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -75.33 -27.28 59.18 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.46 -50.78 2.88 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.407 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.76 101.92 1.8 Allowed 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 123.878 0.871 . . . . 0.0 110.712 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -103.03 89.73 3.53 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.551 0.691 . . . . 0.0 109.754 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -82.23 -34.39 28.89 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.32 -23.54 26.9 Favored Glycine 0 N--CA 1.441 -1.031 0 CA-C-N 115.456 -0.793 . . . . 0.0 114.097 173.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.407 ' HG3' HG11 ' A' ' 43' ' ' VAL . 27.9 tptp -92.17 -63.87 1.18 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 117.11 0.455 . . . . 0.0 112.034 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.407 HG11 ' HG3' ' A' ' 42' ' ' LYS . 27.2 m -122.94 145.7 29.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.3 tp -127.58 113.97 16.8 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 176.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.2 m -87.79 107.02 18.46 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.37 0.605 . . . . 0.0 111.019 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 pt -101.57 174.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -111.8 177.31 4.69 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 121.174 -0.21 . . . . 0.0 110.762 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -64.48 -31.53 72.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 121.096 0.474 . . . . 0.0 110.568 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.3 -40.18 81.3 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.978 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -73.13 -43.2 61.98 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.399 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.5 tp -55.7 -43.7 76.69 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.44 0.638 . . . . 0.0 109.553 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -61.54 -39.05 89.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.247 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.566 ' O ' HG13 ' A' ' 57' ' ' ILE . 28.5 m -63.79 -49.03 74.5 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.671 0.607 . . . . 0.0 109.569 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mp -52.64 -47.26 67.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.337 0.655 . . . . 0.0 111.157 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.98 -42.11 72.02 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.668 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.0 t -72.88 -41.03 60.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.955 0.407 . . . . 0.0 110.144 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 53' ' ' THR . 47.6 mt -63.1 -50.84 77.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.745 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -86.83 1.53 52.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.716 -172.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 t70 59.66 58.34 2.91 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 122.334 1.064 . . . . 0.0 110.84 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -139.99 143.46 36.49 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.153 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 m -64.28 141.89 98.22 Favored Pre-proline 0 C--N 1.299 -1.592 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -43.48 -47.53 9.19 Favored 'Trans proline' 0 C--N 1.365 1.425 0 C-N-CA 124.134 3.223 . . . . 0.0 114.235 -176.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.489 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 21.3 m -65.85 -44.45 85.44 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.989 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.88 -41.16 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.373 0.606 . . . . 0.0 109.829 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.75 -40.67 97.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.075 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 57.1 m -64.27 -42.46 96.44 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.29 -0.413 . . . . 0.0 109.975 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 63' ' ' SER . 48.2 mt-10 -59.86 -38.15 81.32 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.63 -56.29 23.85 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 123.485 0.714 . . . . 0.0 111.217 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.43 -36.55 76.1 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.352 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 76.4 mt -71.93 -34.79 52.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.4 t -68.05 -32.44 72.8 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 122.911 0.484 . . . . 0.0 110.497 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 14.7 m0 -87.29 -7.37 57.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.164 0.507 . . . . 0.0 110.05 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.68 27.68 68.75 Favored Glycine 0 CA--C 1.503 -0.699 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.218 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.6 t -93.58 -29.86 4.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.5 tp -111.57 155.51 23.21 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.437 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.49 140.01 57.04 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 123.673 0.789 . . . . 0.0 110.475 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.57 -33.4 74.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -77.71 -23.36 49.45 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 120.851 0.358 . . . . 0.0 111.264 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -25.47 23.18 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -14.77 62.35 Favored 'General case' 0 C--O 1.212 -0.893 0 C-N-CA 118.884 -1.126 . . . . 0.0 111.398 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -69.97 -34.9 73.99 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.46 -36.18 63.32 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.487 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.98 -48.01 76.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.266 0.555 . . . . 0.0 110.011 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.488 ' HA ' ' CE1' ' A' ' 86' ' ' HIS . . . -84.13 37.91 0.63 Allowed 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 123.062 0.545 . . . . 0.0 111.092 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.433 ' C ' ' H ' ' A' ' 87' ' ' ASP . 32.2 t -77.94 4.88 10.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.301 -178.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' ' 84' ' ' ALA . 4.6 p-80 -78.35 43.65 0.47 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 122.77 1.272 . . . . 0.0 109.42 174.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 85' ' ' SER . 11.3 t70 -123.85 92.55 3.7 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 -177.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -95.0 -26.74 15.96 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.296 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.294 -1.829 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -178.807 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 C--O 1.25 1.1 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 77.86 143.86 0.1 OUTLIER Pre-proline 0 C--O 1.242 0.688 0 C-N-CA 125.504 1.522 . . . . 0.0 110.716 -175.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.11 145.01 71.67 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 121.875 1.716 . . . . 0.0 109.938 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.07 117.33 3.96 Favored 'Trans proline' 0 C--O 1.244 0.811 0 C-N-CA 122.826 2.351 . . . . 0.0 110.836 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.507 ' HB2' ' OE1' ' A' ' 48' ' ' GLN . 9.0 Cg_exo -68.9 115.03 3.76 Favored 'Trans proline' 0 N--CA 1.443 -1.462 0 C-N-CA 121.892 1.728 . . . . 0.0 112.331 -179.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -105.99 125.31 50.84 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.4 mt -99.69 118.81 37.0 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.63 113.08 25.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 CA-C-O 121.213 0.53 . . . . 0.0 110.196 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.6 tp -93.64 106.5 18.46 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 12.1 t70 -77.34 111.9 13.49 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.3 mt -77.22 -26.36 52.61 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 120.901 0.382 . . . . 0.0 111.041 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.64 -47.42 66.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.561 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 17' ' ' VAL . 25.9 mmt180 -70.86 -31.17 67.77 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 176.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 1.5 tm? -64.42 -34.31 77.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -68.8 -22.77 64.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.648 176.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -88.64 -3.76 58.71 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-O 121.659 0.742 . . . . 0.0 109.833 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 13' ' ' ARG . 73.6 t -92.36 133.3 30.11 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -39.73 125.32 1.5 Allowed 'Trans proline' 0 C--O 1.254 1.293 0 C-N-CA 124.145 3.23 . . . . 0.0 113.838 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.17 -18.02 59.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.665 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -52.8 -36.11 57.86 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.729 0.811 . . . . 0.0 110.309 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -119.64 -25.53 5.93 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.573 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.66 -4.14 25.56 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -175.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.13 -62.25 6.41 Favored Glycine 0 N--CA 1.468 0.81 0 CA-C-O 119.842 -0.421 . . . . 0.0 112.76 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -58.59 -28.95 87.62 Favored 'Trans proline' 0 C--N 1.363 1.335 0 C-N-CA 122.796 2.331 . . . . 0.0 111.628 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.9 tp -66.16 -40.48 90.55 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.28 -178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 15' ' ' ALA . 73.2 mt-30 -62.46 -36.5 82.67 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.134 174.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -73.13 -40.85 64.57 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.45 ' CD2' HD21 ' A' ' 54' ' ' LEU . 83.2 t80 -57.05 -49.89 74.44 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 174.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -56.24 -46.01 79.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.272 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.02 -38.64 89.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.186 0.517 . . . . 0.0 111.142 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.5 m -69.21 -43.1 74.78 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.443 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 28' ' ' TYR . 34.3 mm -58.89 -38.76 75.05 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 C-N-CA 123.477 0.711 . . . . 0.0 110.984 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 99.3 mt-30 -56.68 -49.77 74.11 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.872 177.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.7 m -66.15 -34.12 77.31 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.009 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -66.47 -35.84 81.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 mpt_? -82.97 -27.22 30.64 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.382 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.67 2.01 87.56 Favored Glycine 0 N--CA 1.467 0.718 0 CA-C-O 122.039 0.799 . . . . 0.0 111.138 -177.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -130.57 121.42 25.64 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -138.78 167.4 22.08 Favored 'General case' 0 N--CA 1.417 -2.098 0 C-N-CA 119.289 -0.964 . . . . 0.0 111.392 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -151.41 127.16 10.23 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.54 -2.93 90.05 Favored Glycine 0 C--N 1.298 -1.551 0 C-N-CA 120.136 -1.03 . . . . 0.0 113.327 -174.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -100.16 -48.09 4.74 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.784 0.326 . . . . 0.0 110.578 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.7 157.12 38.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.393 . . . . 0.0 110.975 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 tp -134.06 118.99 18.39 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 m -92.02 102.33 14.88 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.529 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.9 pt -101.59 168.76 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -112.48 177.06 4.76 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.741 177.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.542 ' NE2' ' H ' ' A' ' 48' ' ' GLN . 2.1 mp0 -64.03 -36.87 85.4 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 123.445 0.698 . . . . 0.0 110.072 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -65.61 -26.56 67.89 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.859 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -87.38 -39.61 15.14 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 tp -55.1 -33.53 62.89 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.451 1.1 . . . . 0.0 110.337 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.415 ' O ' HG22 ' A' ' 56' ' ' VAL . 67.6 mtp180 -60.6 -28.11 68.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.642 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.498 ' O ' HG13 ' A' ' 57' ' ' ILE . 20.5 m -67.97 -39.42 83.34 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.45 HD21 ' CD2' ' A' ' 28' ' ' TYR . 92.4 mt -61.83 -37.43 84.42 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.595 178.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.74 87.05 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.224 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 52' ' ' ARG . 43.9 t -72.26 -33.24 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.941 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 53' ' ' THR . 29.2 mt -69.31 -48.26 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.586 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -88.03 -1.76 58.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.385 -173.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 67.96 28.07 6.96 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.818 1.247 . . . . 0.0 110.529 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -114.06 165.25 12.82 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.113 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.3 t -90.79 144.58 30.52 Favored Pre-proline 0 C--N 1.305 -1.346 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -46.72 -29.84 8.36 Favored 'Trans proline' 0 C--N 1.366 1.478 0 C-N-CA 124.257 3.304 . . . . 0.0 114.175 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 4.8 p -60.15 -57.39 13.01 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 122.46 0.304 . . . . 0.0 111.15 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.501 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 13.9 p -75.21 -26.06 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.272 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -44.29 96.79 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 m -64.83 -39.02 92.91 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.051 0.453 . . . . 0.0 109.84 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 63' ' ' SER . 50.3 mt-10 -61.99 -35.81 79.63 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.456 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 30.2 mm-40 -51.78 -61.06 2.49 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.766 0.827 . . . . 0.0 110.924 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.24 -35.76 74.25 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.905 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.4 mt -67.75 -49.22 71.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.218 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.4 p -64.69 -32.15 73.69 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -76.86 -16.81 59.31 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.233 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.54 34.35 11.98 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.605 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -108.71 -39.34 4.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -113.3 151.92 30.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.634 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -77.72 148.34 34.95 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.32 80.38 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 123.599 0.76 . . . . 0.0 112.788 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.7 -23.33 66.05 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -175.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -24.79 39.33 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.474 0.709 . . . . 0.0 111.749 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -53.48 -25.17 15.28 Favored 'General case' 0 C--O 1.209 -1.029 0 C-N-CA 124.041 0.937 . . . . 0.0 111.352 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -53.9 -33.93 58.03 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.224 1.41 . . . . 0.0 111.167 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.0 -28.93 70.14 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.305 -0.861 . . . . 0.0 113.307 -174.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.8 p -139.25 26.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-O 122.151 0.976 . . . . 0.0 108.672 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.16 121.89 9.8 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.065 -1.425 . . . . 0.0 114.249 -173.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.3 m -146.0 141.18 27.43 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 172.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.3 t60 67.8 99.46 0.05 Allowed 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.092 0.957 . . . . 0.0 111.67 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -92.61 158.86 15.74 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.61 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.98 112.76 6.61 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 123.108 0.255 . . . . 0.0 111.654 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--O 1.241 0.616 0 C-N-CA 124.545 1.138 . . . . 0.0 111.078 179.612 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm . . . . . 0 N--CA 1.441 -0.897 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -87.15 106.9 18.2 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -99.37 114.97 39.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.14 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -102.38 129.32 48.81 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.217 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -83.44 115.53 22.1 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.7 mt -76.77 -29.71 56.21 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.463 -175.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -77.38 -32.43 54.9 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.909 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -64.23 -40.91 97.01 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.6 tp -64.3 -30.61 71.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.68 -23.1 63.4 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.017 0.437 . . . . 0.0 110.991 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.0 m -89.84 -5.36 56.94 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 121.906 0.86 . . . . 0.0 109.993 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.8 t -89.46 135.42 31.03 Favored Pre-proline 0 C--N 1.316 -0.877 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . 12.4 Cg_endo -54.28 141.64 70.38 Favored 'Trans proline' 0 C--O 1.262 1.707 0 C-N-CA 123.069 2.513 . . . . 0.0 113.333 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.7 -20.33 33.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.296 1.438 . . . . 0.0 113.891 -173.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.445 ' HG2' ' HB2' ' A' ' 18' ' ' PRO . 7.7 pt-20 -50.54 -41.42 53.89 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.623 0.769 . . . . 0.0 111.585 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 33.6 mtmm -122.8 -24.51 4.82 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.017 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -76.28 -38.49 56.09 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.434 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.3 -60.17 4.79 Favored Glycine 0 N--CA 1.473 1.104 0 O-C-N 124.095 0.872 . . . . 0.0 114.309 -175.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -52.61 -39.02 76.7 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 122.889 2.393 . . . . 0.0 112.96 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp -75.78 -38.56 58.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.871 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 93.1 mt-30 -60.99 -33.16 72.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.364 0.602 . . . . 0.0 109.406 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 4.2 mmp_? -74.95 -47.14 31.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.783 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.83 -54.9 27.69 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.538 0.735 . . . . 0.0 110.067 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.92 93.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.612 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.19 86.47 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.203 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.1 m -71.94 -42.08 67.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.719 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 48.7 mm -64.6 -48.17 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . 13.8 mm100 -62.31 -46.0 90.68 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 p -65.1 -34.05 77.49 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.479 -0.488 . . . . 0.0 112.063 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -81.15 -22.32 39.09 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.643 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 28.3 mmt180 -84.87 -27.83 26.43 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.259 177.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.84 -48.0 0.99 Allowed Glycine 0 C--N 1.314 -0.685 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.447 ' HB2' ' HB3' ' A' ' 33' ' ' GLN . 23.1 t70 80.14 124.06 0.04 OUTLIER 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 125.61 1.564 . . . . 0.0 114.795 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -147.47 23.43 1.14 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 171.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.642 ' HB3' ' O ' ' A' ' 43' ' ' VAL . 17.0 m120 -104.27 -52.39 2.93 Favored 'General case' 0 CA--C 1.495 -1.161 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.154 -176.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.52 -71.9 0.02 OUTLIER Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.217 0.948 . . . . 0.0 115.423 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -83.05 -39.25 21.46 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 123.312 0.645 . . . . 0.0 111.575 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.642 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 16.5 m -130.37 131.4 65.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -173.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.3 tp -107.89 132.87 53.01 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.3 t -110.98 122.8 48.81 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.8 pt -119.95 179.35 2.09 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -94.11 166.7 12.0 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.99 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -69.44 -40.89 76.94 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 122.022 0.915 . . . . 0.0 108.649 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.49 -30.17 61.72 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.098 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.46 -22.88 61.01 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.138 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.1 tp -64.83 -28.98 69.93 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.363 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -65.8 -21.93 66.53 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.732 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.447 ' O ' HG13 ' A' ' 57' ' ' ILE . 11.4 m -63.49 -42.21 98.54 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.465 HD22 ' OH ' ' A' ' 58' ' ' TYR . 96.1 mt -67.12 -33.06 74.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.047 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.01 74.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.554 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.0 t -73.19 -42.66 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.461 HD12 HD23 ' A' ' 54' ' ' LEU . 44.6 mt -60.99 -45.93 97.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.73 -177.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.465 ' OH ' HD22 ' A' ' 54' ' ' LEU . 3.3 m-85 -89.47 -11.69 42.26 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.129 -0.629 . . . . 0.0 110.232 -175.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 64.8 59.1 0.92 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-O 122.979 1.371 . . . . 0.0 109.709 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -129.49 154.05 47.37 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 113.875 -1.511 . . . . 0.0 108.482 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.0 m -75.12 137.72 72.35 Favored Pre-proline 0 C--N 1.3 -1.55 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -46.68 -43.06 23.74 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 123.724 2.949 . . . . 0.0 113.428 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 m -57.22 -54.05 51.22 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.654 0.782 . . . . 0.0 110.943 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 55.7 t -67.85 -38.26 79.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.542 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.95 -44.83 94.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.351 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.2 m -61.98 -43.53 98.65 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.122 0.487 . . . . 0.0 109.706 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -64.43 -31.76 73.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.519 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 9.9 mm-40 -58.34 -55.97 28.09 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 123.466 0.479 . . . . 0.0 111.112 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.67 -37.82 76.83 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.298 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 93.9 mt -68.22 -42.13 84.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.531 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -64.59 -42.69 95.41 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 123.122 0.569 . . . . 0.0 110.652 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -73.62 -15.62 61.26 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.997 0.427 . . . . 0.0 110.79 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.79 20.76 60.79 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -88.84 -23.43 6.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 58.6 tp -135.51 154.89 51.24 Favored 'General case' 0 N--CA 1.436 -1.175 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.07 151.37 19.25 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 123.486 0.491 . . . . 0.0 110.972 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.35 -12.88 60.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.336 1.065 . . . . 0.0 110.329 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.8 -22.39 66.59 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 114.656 -1.157 . . . . 0.0 110.912 174.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.5 -24.1 61.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.807 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -55.44 -30.97 61.49 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.615 0.766 . . . . 0.0 112.385 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 . . . . . 0 C--O 1.217 -0.619 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.409 -179.157 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp . . . . . 0 N--CA 1.426 -1.63 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -85.79 112.98 21.6 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.754 -173.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.8 t -95.15 112.38 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.582 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tt -106.89 111.53 24.08 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.424 ' O ' HG13 ' A' ' 74' ' ' VAL . 10.4 t70 -72.82 108.89 6.02 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.281 -176.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.4 mt -77.19 -21.52 53.81 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -174.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -82.47 -39.57 22.33 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.938 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 17' ' ' VAL . 26.2 tpt180 -66.02 -31.98 73.19 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 173.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.59 -31.25 71.3 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.752 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -70.75 -31.76 68.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.19 0.519 . . . . 0.0 110.821 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 p -86.69 6.67 30.08 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 13' ' ' ARG . 89.0 t -95.44 130.4 32.24 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -43.72 142.61 3.27 Favored 'Trans proline' 0 C--O 1.255 1.326 0 C-N-CA 124.204 3.269 . . . . 0.0 114.458 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.17 67.36 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.835 1.254 . . . . 0.0 111.286 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -54.18 -40.01 67.15 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.558 0.743 . . . . 0.0 110.125 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -102.34 -51.1 3.43 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.037 -174.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.544 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -94.73 1.89 55.5 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -172.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.33 -69.89 0.81 Allowed Glycine 0 N--CA 1.475 1.253 0 N-CA-C 115.044 0.778 . . . . 0.0 115.044 -175.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -68.81 -19.99 40.2 Favored 'Trans proline' 0 C--O 1.241 0.632 0 C-N-CA 122.616 2.21 . . . . 0.0 111.875 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.2 tp -73.55 -38.78 65.12 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.812 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 95.2 mt-30 -63.47 -35.23 79.76 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.6 0.714 . . . . 0.0 109.191 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -68.63 -41.45 79.43 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.256 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.451 ' O ' HG12 ' A' ' 32' ' ' ILE . 73.8 t80 -64.8 -38.85 92.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.06 88.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.387 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.09 97.37 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 110.315 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.8 m -61.3 -36.74 80.91 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.325 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 28' ' ' TYR . 47.2 mm -66.3 -45.23 90.25 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.71 -41.65 86.86 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.39 0.431 . . . . 0.0 111.52 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 m -64.91 -31.01 72.04 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.465 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -79.53 -32.52 42.29 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.253 -0.28 . . . . 0.0 110.977 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -72.55 -27.53 62.27 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 120.482 0.182 . . . . 0.0 111.033 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.99 35.85 92.65 Favored Glycine 0 C--O 1.243 0.699 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -145.26 153.29 41.15 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -96.01 0.64 51.92 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 118.982 -1.087 . . . . 0.0 113.643 -175.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -71.71 93.29 1.26 Allowed 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.788 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.83 41.01 1.78 Allowed Glycine 0 CA--C 1.472 -2.624 0 N-CA-C 110.194 -1.163 . . . . 0.0 110.194 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -90.51 -37.76 13.67 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.9 m -141.12 153.71 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.288 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.5 tp -124.09 136.1 54.0 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 p -104.15 119.92 40.0 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 123.444 0.465 . . . . 0.0 110.527 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.428 ' HB ' ' HB2' ' A' ' 50' ' ' ASP . 20.9 pt -140.63 171.35 13.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 C-N-CA 122.796 0.438 . . . . 0.0 110.095 178.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -109.93 171.47 7.43 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -62.86 -30.32 71.42 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.868 0.842 . . . . 0.0 109.558 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.0 -31.69 72.73 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.514 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 27.0 m-20 -85.06 -43.14 14.18 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' HA ' HD13 ' A' ' 54' ' ' LEU . 47.6 tp -56.12 -32.16 63.97 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.59 1.156 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 56' ' ' VAL . 79.0 ttt180 -52.6 -42.16 64.32 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.018 0.927 . . . . 0.0 111.043 177.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.508 ' O ' HG13 ' A' ' 57' ' ' ILE . 38.4 m -59.88 -42.05 92.88 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 122.946 0.498 . . . . 0.0 110.763 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 51' ' ' LEU . 6.5 mp -64.29 -43.78 93.7 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -177.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.37 82.46 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.326 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 52' ' ' ARG . 89.8 t -65.6 -35.59 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.754 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 53' ' ' THR . 38.8 mt -65.08 -29.84 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.714 0.768 . . . . 0.0 110.53 -178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -102.5 5.83 39.66 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.838 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.2 t70 60.74 34.17 19.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.701 1.201 . . . . 0.0 110.25 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 60' ' ' GLN . 16.7 mt-30 -113.34 164.47 13.53 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.069 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.6 t -84.79 141.87 38.77 Favored Pre-proline 0 N--CA 1.434 -1.255 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.75 -36.42 82.08 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.253 2.635 . . . . 0.0 112.884 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.0 p -63.22 -52.21 63.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.269 0.556 . . . . 0.0 110.627 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.99 -43.0 97.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.245 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.2 tm? -58.8 -47.93 83.05 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.191 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.419 ' O ' HG13 ' A' ' 70' ' ' ILE . 96.2 m -57.77 -49.44 76.6 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 123.197 0.599 . . . . 0.0 111.271 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.3 -34.62 75.52 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -64.09 -54.74 29.28 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.504 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 4.4 mm? -56.77 -38.3 72.3 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.32 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 66' ' ' THR . 72.0 mt -66.69 -42.27 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-O 120.941 0.401 . . . . 0.0 110.097 177.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.1 m -64.89 -28.51 69.59 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.402 ' HB2' HG23 ' A' ' 74' ' ' VAL . 13.0 m0 -86.66 -5.5 59.11 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.192 0.52 . . . . 0.0 110.242 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.23 21.0 65.91 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 10' ' ' ASP . 96.8 t -91.79 -45.49 14.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 121.093 0.473 . . . . 0.0 110.279 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.433 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 64.5 tp -104.35 143.96 32.27 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.916 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.15 139.95 58.45 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.02 -19.46 65.7 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 23.4 t70 -59.46 -19.94 51.47 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.028 0.931 . . . . 0.0 111.635 -178.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.9 -27.88 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.507 1.123 . . . . 0.0 112.086 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -56.85 -32.5 65.87 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.647 0.779 . . . . 0.0 112.512 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 78' ' ' ASP . 14.1 ptp180 . . . . . 0 C--O 1.216 -0.703 0 C-N-CA 119.543 -0.863 . . . . 0.0 110.711 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 N--CA 1.416 -2.145 0 CA-C-O 121.178 0.513 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.97 104.29 9.51 Favored 'General case' 0 N--CA 1.41 -2.441 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -88.92 112.26 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.38 123.92 39.15 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -77.04 112.92 14.2 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.27 -26.34 64.72 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -68.49 -47.85 65.95 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.327 0.584 . . . . 0.0 109.972 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -63.31 -40.13 96.5 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.045 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 tp -61.79 -40.8 96.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.266 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.47 -16.35 61.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.103 0.477 . . . . 0.0 111.271 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.4 m -80.7 -26.71 37.33 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.377 0.608 . . . . 0.0 109.607 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.7 t -78.08 134.47 63.66 Favored Pre-proline 0 C--N 1.313 -0.979 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.59 152.33 27.69 Favored 'Trans proline' 0 C--O 1.25 1.1 0 C-N-CA 123.475 2.783 . . . . 0.0 113.304 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.37 -28.32 69.15 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.384 0.673 . . . . 0.0 111.681 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.57 -31.42 56.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.348 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.526 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 8.1 mmpt? -108.55 -54.11 2.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.086 0.47 . . . . 0.0 111.045 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.02 -9.54 45.54 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -172.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -57.89 -56.8 23.18 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 119.749 -0.473 . . . . 0.0 113.572 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.27 -22.53 46.21 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 121.984 1.789 . . . . 0.0 111.501 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.587 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -73.91 -46.62 43.24 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 178.796 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.48 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 78.4 mt-30 -63.92 -26.58 68.66 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 21.6 mtm180 -62.82 -50.83 69.41 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.485 ' CD1' HD21 ' A' ' 54' ' ' LEU . 39.8 t80 -63.25 -43.88 96.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.068 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' A' ' 26' ' ' GLN . . . -56.63 -47.26 80.09 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.41 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.15 85.53 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.562 0.539 . . . . 0.0 110.252 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.2 m -63.36 -44.93 93.39 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.695 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.4 mm -69.07 -40.08 80.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.956 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 78.4 mt-30 -57.64 -49.25 77.06 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.129 0.49 . . . . 0.0 110.089 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.8 t -66.81 -49.26 66.38 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.104 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -86.28 -43.46 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -172.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -110.37 -28.6 8.5 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 118.601 -1.239 . . . . 0.0 112.857 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.89 -10.81 82.5 Favored Glycine 0 CA--C 1.494 -1.266 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 t70 49.0 64.25 1.8 Allowed 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 125.874 1.669 . . . . 0.0 111.851 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 58.34 87.72 0.07 Allowed 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.678 1.591 . . . . 0.0 114.283 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -157.12 122.62 4.66 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.39 28.85 8.32 Favored Glycine 0 N--CA 1.436 -1.348 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.192 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -100.16 -56.36 2.38 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.513 0.673 . . . . 0.0 110.031 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.2 m -137.31 154.96 31.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.795 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.5 tp -128.65 131.27 48.04 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -111.67 113.23 25.48 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 120.881 0.372 . . . . 0.0 110.427 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.9 pt -123.66 172.1 11.6 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -97.9 171.98 7.94 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.65 -24.07 62.63 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 173.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -62.74 -39.46 94.17 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.639 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -70.72 -39.63 73.29 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 54' ' ' LEU . 8.9 tt -66.03 -32.02 73.24 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.62 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.444 ' O ' HG23 ' A' ' 56' ' ' VAL . 46.7 ttm105 -59.86 -40.66 89.36 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.458 ' O ' HG13 ' A' ' 57' ' ' ILE . 48.3 m -70.33 -38.34 74.88 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.906 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.485 HD21 ' CD1' ' A' ' 28' ' ' TYR . 76.8 mt -55.17 -49.66 71.31 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.69 -31.22 66.15 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.657 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 52' ' ' ARG . 61.7 t -73.32 -38.61 54.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 53' ' ' THR . 34.7 mt -63.07 -47.86 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 121.185 0.516 . . . . 0.0 110.577 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.587 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 4.5 m-85 -88.03 -3.29 58.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.119 -175.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 t70 58.29 61.07 2.4 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.82 1.248 . . . . 0.0 109.6 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -134.89 165.28 25.66 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.496 -1.229 . . . . 0.0 109.692 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.0 t -76.75 131.62 73.39 Favored Pre-proline 0 N--CA 1.429 -1.513 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.43 -36.53 88.08 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 123.008 2.472 . . . . 0.0 111.812 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.6 m -62.64 -50.07 72.68 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.186 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 49.1 t -69.22 -36.67 73.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.923 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.02 -50.86 71.64 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.999 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.9 m -60.12 -42.88 95.71 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.445 0.64 . . . . 0.0 109.296 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.28 -42.66 99.02 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.153 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 64' ' ' VAL . 26.6 mt-30 -61.77 -51.4 68.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 122.467 0.307 . . . . 0.0 111.203 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.16 -39.67 72.69 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 120.758 0.313 . . . . 0.0 111.74 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.88 -47.15 83.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.319 176.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 m -65.47 -31.89 73.2 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -73.33 -16.8 61.35 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 110.649 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.9 18.95 49.35 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.113 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.99 -44.8 14.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.8 tp -104.99 151.41 23.95 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.28 147.67 34.21 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -59.56 -51.67 68.86 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -176.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.9 -21.53 30.41 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.22 -24.56 66.43 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.099 0.56 . . . . 0.0 111.61 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 8.3 ptm180 -55.1 -32.11 61.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.448 0.699 . . . . 0.0 111.975 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.91 -176.179 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm . . . . . 0 N--CA 1.434 -1.24 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 45' ' ' SER . 69.6 mt -80.45 109.93 15.42 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -175.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.9 114.03 41.33 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.451 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.11 126.62 49.11 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -79.25 110.15 14.26 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 175.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.24 -33.73 75.95 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.598 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -69.99 -31.27 68.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.6 0.714 . . . . 0.0 110.271 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -75.65 -35.19 60.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.94 -29.53 70.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.486 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.3 0.3 14.72 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.27 0.628 . . . . 0.0 111.513 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -107.13 4.04 26.4 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 122.506 1.146 . . . . 0.0 109.096 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.9 t -106.04 126.41 30.69 Favored Pre-proline 0 N--CA 1.439 -0.985 0 N-CA-C 108.066 -1.086 . . . . 0.0 108.066 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.608 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 36.9 Cg_endo -63.22 158.44 44.37 Favored 'Trans proline' 0 C--O 1.256 1.422 0 C-N-CA 123.068 2.512 . . . . 0.0 113.757 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.23 -27.35 67.13 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -173.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.608 ' OE1' ' HB2' ' A' ' 18' ' ' PRO . 2.9 pm0 -62.44 -22.99 66.63 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -116.95 -41.93 2.99 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.751 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -103.29 -0.65 29.99 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -175.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.0 -65.38 2.72 Favored Glycine 0 N--CA 1.483 1.768 0 N-CA-C 115.062 0.785 . . . . 0.0 115.062 -174.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.412 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 24.5 Cg_exo -64.16 -28.74 64.9 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.09 1.86 . . . . 0.0 111.679 -179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.75 -42.65 73.63 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.841 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 96.8 mt-30 -64.75 -40.86 96.0 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.0 mtm105 -64.46 -44.47 90.99 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.351 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.416 ' O ' HG12 ' A' ' 32' ' ' ILE . 54.9 t80 -61.39 -43.96 97.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.39 88.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.328 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.33 73.93 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.914 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 72.4 m -66.16 -44.13 84.98 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.011 177.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 28' ' ' TYR . 48.3 mm -61.74 -41.91 92.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.268 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -56.64 -56.24 23.85 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.9 p -68.16 -36.36 79.52 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 31' ' ' THR . 85.7 mm-40 -67.87 -42.07 81.85 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.897 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -73.49 -26.32 60.85 Favored 'General case' 0 N--CA 1.424 -1.771 0 CA-C-O 121.077 0.465 . . . . 0.0 110.372 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.88 32.0 13.83 Favored Glycine 0 CA--C 1.49 -1.469 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -119.45 153.51 35.16 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 114.919 -0.641 . . . . 0.0 109.971 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -124.86 16.76 8.64 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -73.09 100.4 3.02 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.38 30.99 9.05 Favored Glycine 0 C--N 1.294 -1.802 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -96.91 -59.02 1.89 Allowed 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.8 m -138.92 157.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.081 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.1 tp -135.47 134.03 39.14 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 23.0 t -119.88 116.33 25.61 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.205 0.526 . . . . 0.0 109.669 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 pp -113.86 170.45 4.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.206 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.91 177.17 4.97 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.987 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 88.5 mm-40 -69.41 -28.01 65.79 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.913 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -67.53 -36.61 81.35 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.164 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' O ' HD13 ' A' ' 54' ' ' LEU . 6.7 m-20 -70.35 -42.0 72.44 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 tp -53.59 -43.45 68.59 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.072 0.463 . . . . 0.0 110.365 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 48' ' ' GLN . 28.1 mmm180 -64.93 -24.21 67.46 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.393 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 57' ' ' ILE . 32.0 m -87.4 -52.73 5.2 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 50' ' ' ASP . 10.8 mp -52.49 -46.41 66.58 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 124.232 1.013 . . . . 0.0 112.717 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.61 68.02 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.465 0.478 . . . . 0.0 111.556 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.93 -37.29 53.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.287 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 53' ' ' THR . 53.8 mt -61.94 -38.35 80.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.437 0.636 . . . . 0.0 109.826 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 24' ' ' PRO . 5.8 m-85 -92.51 4.49 53.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.649 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 66.17 24.1 10.85 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.452 1.101 . . . . 0.0 111.05 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -109.33 158.96 17.38 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.443 0.639 . . . . 0.0 111.741 -176.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.0 m -88.79 141.95 30.27 Favored Pre-proline 0 C--N 1.298 -1.636 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.471 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -44.48 -45.25 13.02 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 124.742 3.628 . . . . 0.0 116.555 -174.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.6 m -66.21 -50.74 62.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 118.079 0.4 . . . . 0.0 110.786 -176.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.4 m -69.66 -27.56 34.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.231 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.8 -46.1 76.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -62.63 -43.56 98.49 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.571 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.89 -42.05 97.23 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.751 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -52.67 -57.08 11.22 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.27 0.628 . . . . 0.0 111.198 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.06 -38.74 68.41 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.1 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.8 mt -73.3 -38.91 54.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.296 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.4 p -69.55 -22.9 63.51 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -85.63 -14.35 45.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.356 0.598 . . . . 0.0 109.703 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.37 19.52 68.83 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 -177.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.3 t -88.52 -34.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.142 0.496 . . . . 0.0 109.687 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.8 tp -116.29 148.12 40.85 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.947 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.03 141.29 58.82 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.337 1.023 . . . . 0.0 110.144 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.85 -27.83 67.85 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -174.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.61 -20.35 62.76 Favored 'General case' 0 C--N 1.31 -1.128 0 O-C-N 122.093 -0.38 . . . . 0.0 111.974 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.02 -38.74 62.61 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.189 0.596 . . . . 0.0 111.955 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -26.28 67.92 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 55.8 ttp85 . . . . . 0 CA--C 1.504 -0.824 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.117 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? . . . . . 0 N--CA 1.419 -1.989 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 62.1 mt -81.36 104.67 11.97 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.395 -171.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.24 126.89 74.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.9 mt -102.67 138.61 39.35 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.314 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -89.6 107.64 19.2 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 175.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 44' ' ' LEU . 92.1 mt -74.51 -22.26 59.14 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.967 -174.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -76.06 -39.18 56.04 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -68.59 -35.31 77.18 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 HD11 HD23 ' A' ' 25' ' ' LEU . 46.6 tp -65.4 -29.05 69.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.211 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.71 -22.42 59.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 m -81.93 -31.82 31.14 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.221 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.03 132.07 93.54 Favored Pre-proline 0 C--O 1.242 0.7 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -39.59 134.48 1.43 Allowed 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 124.291 3.327 . . . . 0.0 113.458 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.05 -18.25 45.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -174.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -79.01 -30.28 44.16 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.561 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -85.24 -48.44 9.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.183 0.516 . . . . 0.0 110.374 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.91 -6.12 27.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -173.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.28 -60.26 9.25 Favored Glycine 0 N--CA 1.468 0.77 0 CA-C-O 119.907 -0.385 . . . . 0.0 113.502 -177.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -57.59 -28.29 80.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 122.549 2.166 . . . . 0.0 112.48 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.427 HD23 HD11 ' A' ' 14' ' ' LEU . 46.1 tp -77.84 -34.36 51.89 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.508 -177.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -63.97 -23.34 67.3 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.977 0.418 . . . . 0.0 111.498 175.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -69.62 -53.17 20.04 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.568 ' CD2' HD21 ' A' ' 54' ' ' LEU . 69.9 t80 -57.35 -42.02 81.21 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 114.319 -1.309 . . . . 0.0 110.186 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.57 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -54.06 -51.87 62.7 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.894 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.0 76.16 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-O 121.262 0.554 . . . . 0.0 111.831 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.1 m -67.09 -47.17 72.02 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 121.492 0.663 . . . . 0.0 109.777 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.51 HG13 ' CE2' ' A' ' 28' ' ' TYR . 34.7 mm -69.81 -36.29 69.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.857 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 28.6 mt-30 -55.01 -47.96 74.0 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.5 m -60.27 -41.5 93.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.564 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -71.37 -29.06 64.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -99.31 7.86 45.22 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.294 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.19 27.79 71.23 Favored Glycine 0 C--O 1.242 0.643 0 CA-C-N 115.199 -0.91 . . . . 0.0 114.138 174.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.547 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 22.1 t70 -108.17 129.62 55.17 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.228 -178.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -132.07 29.17 4.4 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -91.83 -38.69 12.19 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.834 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.82 22.3 77.2 Favored Glycine 0 C--O 1.224 -0.526 0 CA-C-N 115.59 -0.732 . . . . 0.0 113.691 175.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -100.25 -64.99 0.99 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 117.231 0.515 . . . . 0.0 111.609 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.5 m -126.56 125.35 67.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.969 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.439 ' HB2' HD11 ' A' ' 11' ' ' LEU . 59.0 tp -116.01 119.39 35.74 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.055 -178.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 m -82.46 125.26 30.88 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.636 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.3 pt -123.93 176.25 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.251 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -107.15 169.4 8.58 Favored 'General case' 0 C--N 1.29 -1.978 0 C-N-CA 123.09 0.556 . . . . 0.0 109.841 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -66.8 -31.78 72.63 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.3 -41.24 98.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.473 -1.24 . . . . 0.0 111.027 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -65.97 -42.66 89.6 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HG ' HD12 ' A' ' 65' ' ' LEU . 7.6 tt -62.62 -41.13 98.82 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.653 178.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -62.74 -38.24 89.75 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.167 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.8 m -67.85 -38.99 83.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.343 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.568 HD21 ' CD2' ' A' ' 28' ' ' TYR . 92.1 mt -61.12 -39.76 91.21 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.176 177.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.52 69.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.829 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.98 -47.85 66.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.967 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.4 mt -63.04 -46.37 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.604 0.716 . . . . 0.0 110.808 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.425 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 9.6 m-85 -91.37 8.02 38.22 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.026 -172.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 52.81 65.95 1.37 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.267 1.032 . . . . 0.0 110.539 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -139.01 172.8 12.31 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.8 p -102.87 155.48 36.52 Favored Pre-proline 0 C--N 1.282 -2.332 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -46.3 -43.49 21.39 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.267 2.645 . . . . 0.0 114.008 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.454 ' HA ' HG22 ' A' ' 66' ' ' THR . 22.1 t -71.1 -40.47 71.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.693 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.4 t -68.03 -37.44 78.27 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 CA-C-O 121.184 0.516 . . . . 0.0 109.728 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.406 HD12 ' HG ' ' A' ' 51' ' ' LEU . 3.2 tm? -63.34 -51.61 65.26 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.615 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 63' ' ' SER . 13.7 t -64.32 -35.05 79.6 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.17 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.61 -38.27 89.53 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -68.52 -48.62 63.9 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.182 0.301 . . . . 0.0 111.009 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.23 -39.79 79.99 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.07 -34.33 45.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.363 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.6 t -61.55 -42.05 98.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 28.8 m0 -74.49 -16.59 60.84 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.346 0.593 . . . . 0.0 111.103 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.1 10.51 78.14 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.4 t -77.02 -35.21 22.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 tp -112.88 146.13 39.46 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.68 146.3 51.71 Favored 'General case' 0 C--N 1.313 -1.019 0 O-C-N 123.81 0.694 . . . . 0.0 111.467 -177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.454 ' O ' ' HD2' ' A' ' 80' ' ' ARG . . . -69.05 -27.91 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -176.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.525 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 33.7 t70 -83.91 -23.19 31.3 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.521 0.677 . . . . 0.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.64 -24.15 55.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.401 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.525 ' NH1' ' HA ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -56.99 -16.36 6.83 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.227 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 178.607 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm . . . . . 0 CA--C 1.503 -0.834 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.417 ' HB2' HG13 ' A' ' 46' ' ' ILE . 61.4 mt -105.8 136.82 44.74 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.8 t -111.18 113.02 43.07 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-O 121.143 0.497 . . . . 0.0 110.141 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.1 tp -94.14 124.99 38.5 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -88.84 109.96 20.64 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.5 mt -73.28 -34.88 66.03 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.666 -174.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -68.71 -44.05 74.72 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.962 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -68.63 -31.76 71.14 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.353 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.79 -35.19 77.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.266 0.555 . . . . 0.0 109.528 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.447 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -74.3 -17.3 60.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.214 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -85.08 -21.03 29.5 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.303 0.573 . . . . 0.0 109.713 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -86.86 124.75 68.54 Favored Pre-proline 0 N--CA 1.442 -0.871 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -53.69 151.49 25.07 Favored 'Trans proline' 0 C--O 1.259 1.531 0 C-N-CA 123.158 2.572 . . . . 0.0 113.554 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -21.51 47.31 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -170.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 2.5 mp0 -56.84 -47.64 79.88 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.732 0.696 . . . . 0.0 110.385 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -100.88 -30.99 11.37 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.754 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.92 -17.02 19.48 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.93 -64.03 4.08 Favored Glycine 0 N--CA 1.474 1.168 0 N-CA-C 114.803 0.681 . . . . 0.0 114.803 -175.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.47 -26.04 76.38 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.696 2.264 . . . . 0.0 112.523 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 3.5 tt -77.42 -40.66 42.68 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 15' ' ' ALA . 17.1 mm-40 -56.46 -44.07 80.16 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.659 0.784 . . . . 0.0 110.674 175.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -46.07 85.91 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 123.768 0.668 . . . . 0.0 111.44 177.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -65.85 -47.56 74.54 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.82 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.21 89.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.104 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.58 91.53 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.085 0.469 . . . . 0.0 110.467 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.419 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 98.2 m -64.53 -42.85 95.48 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.811 177.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mm -61.83 -44.96 99.59 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -55.63 -44.2 76.87 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.422 0.629 . . . . 0.0 111.242 176.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m -68.08 -27.48 66.53 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.388 -177.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 31' ' ' THR . 91.7 mt-30 -88.19 -19.72 26.53 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.478 0.656 . . . . 0.0 110.105 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -78.81 -26.09 44.27 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.21 -58.16 3.54 Favored Glycine 0 N--CA 1.44 -1.074 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.035 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -112.27 134.31 53.89 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -67.33 128.51 36.68 Favored 'General case' 0 C--N 1.311 -1.085 0 O-C-N 124.071 0.857 . . . . 0.0 109.385 -176.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -63.67 -35.26 79.95 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.607 0.567 . . . . 0.0 112.18 -174.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.36 -105.1 0.64 Allowed Glycine 0 N--CA 1.435 -1.38 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.566 173.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -94.88 -36.07 11.78 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.662 0.744 . . . . 0.0 110.243 -176.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.95 171.92 16.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.614 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -141.11 129.73 22.75 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 p -86.73 115.4 24.15 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.11 0.481 . . . . 0.0 110.936 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 7' ' ' LEU . 29.3 pt -119.31 159.39 20.14 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.421 ' HB2' ' HB2' ' A' ' 50' ' ' ASP . 41.0 mtm180 -82.15 159.0 23.43 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.805 -0.758 . . . . 0.0 112.128 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.419 ' CD ' ' H ' ' A' ' 48' ' ' GLN . 3.6 pm0 -51.18 -50.09 59.66 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 125.89 1.676 . . . . 0.0 112.362 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -82.13 -18.28 43.44 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 121.003 0.43 . . . . 0.0 111.565 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 47' ' ' ARG . 32.8 t70 -70.79 -33.05 70.35 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.264 0.554 . . . . 0.0 110.072 -175.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' A' ' 54' ' ' LEU . 3.5 tm? -63.15 -29.28 70.67 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.775 177.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -68.44 -23.64 64.63 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.092 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 m -70.46 -33.41 71.26 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.036 0.446 . . . . 0.0 110.337 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 51' ' ' LEU . 7.4 mp -65.4 -37.26 86.44 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.743 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.95 -39.75 78.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.367 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.95 -40.67 89.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.067 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.7 mt -63.32 -39.51 85.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.963 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.48 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 3.0 m-85 -94.89 7.82 44.75 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.057 -175.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 61.5 30.86 18.97 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 123.876 0.87 . . . . 0.0 112.546 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -104.56 169.35 8.51 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.653 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.0 t -99.57 137.21 20.22 Favored Pre-proline 0 N--CA 1.415 -2.205 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.81 -32.83 38.59 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.554 2.836 . . . . 0.0 113.18 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 m -55.82 -56.3 22.21 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.945 0.898 . . . . 0.0 110.516 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -78.96 -25.81 13.19 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.313 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.48 -47.36 76.33 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.4 m -63.39 -38.1 89.84 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.32 -45.74 92.33 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.46 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.59 -53.84 52.65 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.75 0.82 . . . . 0.0 111.42 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 75' ' ' LEU . 4.2 mm? -53.93 -42.67 69.05 Favored 'General case' 0 C--O 1.249 1.075 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.0 mt -68.15 -36.08 73.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-O 121.035 0.445 . . . . 0.0 110.764 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.3 m -69.9 -28.17 65.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.142 0.496 . . . . 0.0 111.379 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -84.21 -16.54 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.58 13.97 79.07 Favored Glycine 0 C--O 1.243 0.659 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -86.27 -28.28 6.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.511 0.672 . . . . 0.0 109.228 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 69' ' ' LEU . 51.9 tp -118.74 135.78 54.31 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.88 132.56 51.17 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 123.962 0.789 . . . . 0.0 109.91 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.39 -37.01 46.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -172.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.41 -19.26 8.65 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.06 0.944 . . . . 0.0 112.524 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.99 53.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.792 0.437 . . . . 0.0 111.583 175.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -29.61 69.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.04 0.447 . . . . 0.0 110.179 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.933 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.0 mttt . . . . . 0 N--CA 1.431 -1.416 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 45' ' ' SER . 71.3 mt -83.25 97.5 8.9 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.905 -176.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m -93.89 112.57 27.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-O 121.488 0.661 . . . . 0.0 111.577 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 9' ' ' LEU . 3.9 pp -101.48 131.11 47.78 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -77.59 118.49 20.04 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.066 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -78.46 -16.42 57.58 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -84.43 -42.13 15.96 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 4.5 mmt180 -68.14 -33.52 74.63 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.919 174.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.42 -29.17 70.23 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.183 0.516 . . . . 0.0 109.847 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.58 -23.09 60.91 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.518 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.5 p -87.21 -10.34 52.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.884 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.6 t -81.77 129.16 66.23 Favored Pre-proline 0 C--O 1.241 0.634 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.5 142.93 80.06 Favored 'Trans proline' 0 C--O 1.252 1.222 0 C-N-CA 123.015 2.477 . . . . 0.0 113.111 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.88 -18.85 58.59 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.22 1.008 . . . . 0.0 111.659 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -54.26 -32.84 57.16 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.101 0.56 . . . . 0.0 110.997 174.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -118.69 -38.1 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.162 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.06 -2.03 58.37 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.18 -64.94 3.93 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 121.702 -0.285 . . . . 0.0 113.298 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.98 -20.99 57.35 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.237 1.958 . . . . 0.0 111.933 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.98 -42.75 59.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.272 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.88 -34.55 76.22 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.543 175.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -64.89 -49.81 69.01 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.05 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.483 ' O ' HG12 ' A' ' 32' ' ' ILE . 46.1 t80 -59.27 -47.26 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.761 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.33 85.01 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.05 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.08 77.56 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.506 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.1 m -65.28 -43.38 91.37 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 28' ' ' TYR . 49.2 mm -62.24 -44.88 99.63 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.93 -47.86 83.54 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.28 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 p -69.57 -36.9 76.72 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -60.78 -50.65 72.61 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.413 0.149 . . . . 0.0 111.039 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.41 -26.79 61.99 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.294 0.568 . . . . 0.0 109.853 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.71 41.21 51.01 Favored Glycine 0 N--CA 1.438 -1.213 0 N-CA-C 107.599 -2.201 . . . . 0.0 107.599 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -104.08 133.23 49.38 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.428 -0.886 . . . . 0.0 108.836 -173.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -100.29 12.04 38.01 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.631 0.729 . . . . 0.0 111.291 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -73.3 105.07 4.54 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.795 0.807 . . . . 0.0 110.576 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.85 23.73 25.14 Favored Glycine 0 C--N 1.302 -1.331 0 CA-C-N 114.385 -1.279 . . . . 0.0 112.072 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -98.15 -65.03 0.99 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.479 0.657 . . . . 0.0 109.931 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.84 127.69 18.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.9 tp -102.58 120.08 39.94 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 22.0 t -93.75 114.54 26.84 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.473 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -113.19 173.22 2.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 109.632 -0.506 . . . . 0.0 109.632 177.622 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -85.66 163.2 18.42 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.634 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.488 ' CD ' ' H ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -65.45 -24.17 67.11 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.642 0.734 . . . . 0.0 109.056 171.167 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.418 ' HA ' ' HG3' ' A' ' 52' ' ' ARG . 5.3 m-20 -65.98 -34.97 79.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.143 174.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -75.9 -41.69 51.23 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.433 HD21 ' OG1' ' A' ' 66' ' ' THR . 31.8 tp -52.86 -48.95 66.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.103 176.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -68.07 -30.18 69.32 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 179.677 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.628 ' O ' HG13 ' A' ' 57' ' ' ILE . 89.5 m -71.87 -40.63 68.81 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 28' ' ' TYR . 95.4 mt -54.34 -48.09 71.8 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.111 0.564 . . . . 0.0 110.161 175.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.71 74.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.231 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 52' ' ' ARG . 95.5 t -69.47 -36.7 72.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.033 0.444 . . . . 0.0 110.533 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.628 HG13 ' O ' ' A' ' 53' ' ' THR . 53.3 mt -67.32 -34.03 66.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.598 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -101.9 4.03 39.73 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.91 -175.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 61.88 34.75 16.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.92 0.888 . . . . 0.0 111.945 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -109.92 164.89 12.16 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.794 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.1 t -78.53 135.0 61.06 Favored Pre-proline 0 C--N 1.299 -1.599 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.1 -38.56 80.85 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.95 2.433 . . . . 0.0 112.083 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -64.01 -42.44 97.15 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.61 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.2 t -75.54 -39.47 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.423 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.5 tm? -56.68 -42.18 78.62 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 123.365 0.666 . . . . 0.0 109.215 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.433 ' OG1' HD21 ' A' ' 51' ' ' LEU . 59.8 m -58.12 -49.8 75.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.859 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.69 -40.22 95.0 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.411 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -56.97 -48.3 78.71 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.723 0.409 . . . . 0.0 111.222 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.446 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 4.2 mm? -59.87 -35.43 74.8 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.238 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 90.5 mt -72.79 -38.19 56.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.341 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.4 m -63.36 -36.64 84.39 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.907 0.483 . . . . 0.0 111.466 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -76.91 -13.18 60.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.51 0.671 . . . . 0.0 109.978 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.87 30.0 49.4 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 9' ' ' LEU . 58.0 t -98.63 -48.53 12.01 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.446 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 61.5 tp -95.73 143.55 26.88 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.68 139.54 57.85 Favored 'General case' 0 C--N 1.317 -0.804 0 O-C-N 123.426 0.454 . . . . 0.0 109.932 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -54.93 -42.12 71.88 Favored 'General case' 0 C--O 1.209 -1.069 0 C-N-CA 124.026 0.93 . . . . 0.0 113.272 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.46 -25.77 1.17 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.08 -30.91 68.43 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.427 0.291 . . . . 0.0 111.563 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 6.7 ptm180 -63.36 -34.84 78.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.097 0.475 . . . . 0.0 109.901 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 . . . . . 0 N--CA 1.433 -1.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.237 -178.583 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 6.6 mptt . . . . . 0 CA--C 1.508 -0.657 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.75 96.81 10.63 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.402 ' HB ' ' HB2' ' A' ' 76' ' ' ASP . 47.0 t -104.18 124.34 58.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.5 tp -97.12 117.18 30.74 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.67 113.23 19.53 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.9 mt -80.08 -18.13 50.81 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.61 -46.92 11.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 120.962 0.411 . . . . 0.0 110.017 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.93 -28.36 68.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.17 0.51 . . . . 0.0 109.779 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.08 -33.9 74.07 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.833 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.81 -24.96 52.8 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 120.957 0.408 . . . . 0.0 111.411 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 p -77.85 -15.63 58.91 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.964 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -81.18 129.85 65.19 Favored Pre-proline 0 N--CA 1.44 -0.95 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -43.96 138.7 6.2 Favored 'Trans proline' 0 C--O 1.254 1.278 0 C-N-CA 124.116 3.211 . . . . 0.0 113.705 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.48 60.98 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 123.92 0.888 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.98 -28.35 62.27 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -112.47 -46.1 3.19 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 120.912 0.387 . . . . 0.0 110.649 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -88.08 -12.8 43.17 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -173.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -44.88 -71.37 0.48 Allowed Glycine 0 N--CA 1.481 1.659 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 -174.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -68.31 -22.89 39.22 Favored 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 122.214 1.943 . . . . 0.0 112.855 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HB2' ' OH ' ' A' ' 58' ' ' TYR . 4.7 tt -66.71 -42.42 86.38 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 55.1 mt-30 -63.98 -30.07 71.17 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.751 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -68.22 -46.25 71.05 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.904 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.483 ' O ' HG12 ' A' ' 32' ' ' ILE . 63.6 t80 -53.86 -49.17 69.08 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.235 174.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.14 90.65 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.08 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.37 87.79 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 122.989 0.515 . . . . 0.0 111.091 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.515 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 64.1 m -64.79 -41.52 95.76 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.389 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 28' ' ' TYR . 50.7 mm -62.68 -41.33 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 121.241 0.543 . . . . 0.0 109.67 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -59.87 -40.87 90.13 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.403 176.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.3 m -70.54 -28.15 64.7 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.529 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 31' ' ' THR . 81.2 mm-40 -75.05 -40.65 60.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.594 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -90.31 -5.37 56.34 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 -57.3 4.63 Favored Glycine 0 C--O 1.239 0.461 0 C-N-CA 121.242 -0.504 . . . . 0.0 111.946 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -144.84 163.12 35.05 Favored 'General case' 0 N--CA 1.418 -2.04 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 44' ' ' LEU . 13.4 t80 -153.89 -170.39 3.56 Favored 'General case' 0 N--CA 1.416 -2.168 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -58.81 -45.99 88.65 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 123.514 0.725 . . . . 0.0 109.983 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.7 -40.66 2.46 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.856 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -81.5 -41.42 21.74 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.404 0.621 . . . . 0.0 109.658 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.8 m -128.48 160.79 38.33 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.872 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 61.5 tp -135.46 118.73 16.66 Favored 'General case' 0 C--N 1.311 -1.081 0 C-N-CA 123.817 0.847 . . . . 0.0 109.302 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -80.43 122.62 27.19 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 50' ' ' ASP . 42.4 pt -118.82 170.38 8.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -178.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -105.29 175.52 5.47 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -66.14 -28.32 68.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.927 0.394 . . . . 0.0 111.772 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -75.5 -31.09 60.05 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.379 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 5.4 m-20 -60.73 -46.14 91.58 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.1 tp -56.41 -46.74 80.03 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.404 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.494 ' O ' HG23 ' A' ' 56' ' ' VAL . 64.2 mtt180 -64.36 -39.7 94.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.214 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.415 ' O ' HG13 ' A' ' 57' ' ' ILE . 28.1 m -60.95 -36.81 80.36 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.0 0.429 . . . . 0.0 110.639 -178.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.472 HD22 ' HG ' ' A' ' 25' ' ' LEU . 90.3 mt -62.96 -34.51 77.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.347 0.594 . . . . 0.0 110.869 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.58 -32.84 66.31 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.122 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 52' ' ' ARG . 61.5 t -67.82 -33.53 62.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.727 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 53' ' ' THR . 37.1 mt -56.17 -46.58 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.555 0.693 . . . . 0.0 109.712 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.62 ' OH ' ' HB2' ' A' ' 25' ' ' LEU . 9.2 m-85 -93.25 -4.27 52.18 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.968 -174.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 60.7 58.56 2.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.984 1.373 . . . . 0.0 109.962 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -131.92 171.99 12.89 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.126 -1.397 . . . . 0.0 109.455 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.6 t -77.22 139.33 64.61 Favored Pre-proline 0 N--CA 1.425 -1.711 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.805 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -58.4 -29.97 89.91 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.539 2.16 . . . . 0.0 110.74 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 m -57.03 -53.82 53.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.838 0.855 . . . . 0.0 110.577 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -73.27 -30.6 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.732 -176.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 2.9 tm? -66.53 -44.08 83.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.8 m -63.64 -50.86 67.66 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.709 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.93 -32.27 73.74 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.655 -177.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -66.56 -49.23 67.09 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.399 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.449 HD23 ' CZ3' ' A' ' 72' ' ' TRP . 78.2 mt -57.9 -39.71 78.57 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.552 0.215 . . . . 0.0 111.47 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.89 -43.0 96.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.087 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.8 m -66.7 -32.45 73.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.449 ' CZ3' HD23 ' A' ' 69' ' ' LEU . 35.5 m0 -77.53 -17.41 57.96 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.031 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.84 20.75 57.38 Favored Glycine 0 C--N 1.321 -0.281 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.7 t -93.38 -40.4 11.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.021 0.438 . . . . 0.0 110.494 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.4 tp -94.93 141.57 28.5 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.402 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 24.7 t70 -54.27 137.36 41.51 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 124.022 0.826 . . . . 0.0 111.058 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.412 ' O ' ' HD2' ' A' ' 80' ' ' ARG . . . -60.47 -33.0 71.94 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.559 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 21.6 t70 -80.82 -20.14 43.1 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 121.744 -0.597 . . . . 0.0 111.086 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.68 -24.88 15.85 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.559 ' NH1' ' HA ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -62.24 -23.02 66.43 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.071 0.462 . . . . 0.0 111.176 -178.819 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 . . . . . 0 CA--C 1.542 0.658 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.845 -179.788 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm . . . . . 0 C--O 1.24 0.599 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 67.9 mt -117.35 131.84 56.71 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.427 0.632 . . . . 0.0 112.044 -170.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.6 t -110.81 116.52 52.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 74' ' ' VAL . 38.4 tp -102.2 128.75 48.57 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -177.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.43 108.29 16.49 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.6 mt -80.89 -23.21 39.15 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -176.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -79.44 -33.3 42.62 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -176.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -71.41 -36.89 71.51 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.448 HD21 HD22 ' A' ' 25' ' ' LEU . 35.1 tp -63.97 -36.81 85.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.317 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.85 69.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.429 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 p -89.99 -5.31 56.8 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t -82.55 128.31 67.17 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -38.68 138.67 0.49 Allowed 'Trans proline' 0 C--O 1.261 1.647 0 C-N-CA 124.588 3.525 . . . . 0.0 114.742 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.43 -23.97 63.12 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 124.551 1.14 . . . . 0.0 112.352 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -57.12 -34.53 68.47 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.204 0.526 . . . . 0.0 111.056 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -110.54 -53.84 2.65 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.841 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -90.39 -11.49 40.35 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -172.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.45 -65.21 3.44 Favored Glycine 0 CA--C 1.535 1.297 0 N-CA-C 114.195 0.438 . . . . 0.0 114.195 -175.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -62.7 -24.39 74.77 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.443 2.095 . . . . 0.0 112.365 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.448 HD22 HD21 ' A' ' 14' ' ' LEU . 4.9 tt -75.21 -41.41 57.79 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 80.1 mt-30 -59.18 -39.76 83.56 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 121.097 0.475 . . . . 0.0 110.189 176.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -65.02 -43.68 91.66 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.433 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.452 ' O ' HG12 ' A' ' 32' ' ' ILE . 52.5 t80 -56.8 -51.16 70.03 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 174.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.491 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -55.93 -48.19 76.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.428 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.08 70.36 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.231 0.613 . . . . 0.0 111.62 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.9 m -73.13 -30.24 63.46 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.433 0.635 . . . . 0.0 109.767 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 49.8 mm -83.96 -31.52 8.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.681 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 79.2 mt-30 -49.46 -44.19 45.6 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.996 0.518 . . . . 0.0 111.769 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.4 p -64.14 -36.02 82.68 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -176.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 3.5 pt20 -78.59 -23.0 46.23 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.012 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -86.49 2.77 46.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.505 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.03 17.33 13.06 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.997 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 t70 75.88 -52.46 0.63 Allowed 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 125.651 1.58 . . . . 0.0 112.442 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.09 -5.89 59.31 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.011 -1.449 . . . . 0.0 113.349 -175.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -86.4 64.72 8.69 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 171.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.88 -2.08 3.19 Favored Glycine 0 N--CA 1.431 -1.7 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.382 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -80.3 -53.48 6.6 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 172.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.8 m -123.93 131.1 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.63 0 CA-C-N 113.17 -1.832 . . . . 0.0 106.234 171.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.451 ' HG ' HG23 ' A' ' 46' ' ' ILE . 42.1 tp -97.64 118.19 33.62 Favored 'General case' 0 C--N 1.281 -2.4 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -176.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -91.29 102.51 15.22 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.451 HG23 ' HG ' ' A' ' 44' ' ' LEU . 2.4 pp -131.88 -179.93 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -175.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -103.48 163.7 12.12 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.111 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 4.5 pm0 -64.85 -26.4 68.31 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.746 175.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.93 -38.87 87.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.612 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.52 -29.3 56.69 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.991 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.02 -37.61 88.06 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 48' ' ' GLN . 12.0 mmm180 -60.37 -44.05 96.0 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.031 177.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.539 ' O ' HG13 ' A' ' 57' ' ' ILE . 15.8 m -58.84 -47.3 85.34 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.068 178.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.9 mt -54.6 -49.04 71.37 Favored 'General case' 0 CA--C 1.516 -0.364 0 O-C-N 123.901 0.751 . . . . 0.0 111.287 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.11 -37.17 69.04 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.757 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.0 t -70.61 -38.05 71.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.668 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 53' ' ' THR . 34.3 mt -62.74 -38.46 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 -176.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.23 1.27 47.11 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.293 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 53.13 64.12 1.98 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.861 1.264 . . . . 0.0 109.464 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -140.97 147.12 38.25 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.629 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 t -63.81 140.15 97.77 Favored Pre-proline 0 C--N 1.307 -1.277 0 O-C-N 123.641 0.588 . . . . 0.0 109.978 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.51 -34.24 71.47 Favored 'Trans proline' 0 C--N 1.362 1.247 0 C-N-CA 123.15 2.567 . . . . 0.0 111.744 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 m -60.84 -53.35 58.41 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.244 0.618 . . . . 0.0 110.037 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.441 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 36.5 t -66.65 -39.43 83.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.727 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.44 -50.27 73.56 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.689 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -60.0 -46.51 89.23 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.511 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.17 -35.58 81.24 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 27.7 mm-40 -59.43 -53.99 51.76 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.9 0.381 . . . . 0.0 110.086 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mp -54.21 -43.47 70.83 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.226 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.3 mt -67.82 -38.53 80.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 m -72.6 -22.95 60.89 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.895 0.378 . . . . 0.0 111.151 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -86.49 -15.72 39.23 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 120.916 0.389 . . . . 0.0 110.026 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.69 22.48 55.76 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.425 ' O ' HD12 ' A' ' 9' ' ' LEU . 24.1 m -101.09 -8.06 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.452 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.2 tp -142.21 152.09 42.77 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -89.17 156.62 18.68 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.65 -16.69 64.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.174 0.989 . . . . 0.0 113.177 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -71.9 -27.75 63.04 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.424 0.63 . . . . 0.0 110.431 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.7 -24.24 65.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.794 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -58.1 -23.68 55.74 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.63 0.772 . . . . 0.0 111.478 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.869 -178.121 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.503 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' ' 45' ' ' SER . 2.7 mm? -82.01 97.56 8.17 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.187 0.517 . . . . 0.0 111.117 -173.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -89.81 117.22 32.69 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.85 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -112.99 126.86 55.95 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -82.53 115.31 21.46 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.5 mt -78.12 -26.39 47.92 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -73.9 -44.69 54.45 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -70.35 -29.17 65.79 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.99 -29.27 70.18 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.072 177.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.89 -6.68 59.34 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.115 0.484 . . . . 0.0 110.455 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -94.32 -20.48 19.73 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.243 0.544 . . . . 0.0 109.823 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -93.88 134.02 26.84 Favored Pre-proline 0 N--CA 1.434 -1.267 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -20.98 115.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.372 1.774 1 C-N-CA 126.586 4.857 . . . . 0.0 116.728 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.58 -23.25 66.92 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.815 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 1.6 pm0 -75.32 -12.55 60.29 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.525 -0.734 . . . . 0.0 112.105 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -109.43 -47.94 3.32 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.902 0.382 . . . . 0.0 110.545 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -90.9 -11.56 38.79 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -44.57 -57.66 5.05 Favored Glycine 0 N--CA 1.484 1.857 0 N-CA-C 114.986 0.754 . . . . 0.0 114.986 -176.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -48.49 -44.14 30.97 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.968 2.446 . . . . 0.0 112.467 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.8 tp -72.48 -39.19 67.89 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.969 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 96.4 mt-30 -55.57 -42.11 74.25 Favored 'General case' 0 C--O 1.244 0.816 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 27.2 mtm180 -68.52 -51.14 46.36 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.028 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CE2' HD11 ' A' ' 54' ' ' LEU . 82.3 t80 -53.66 -44.94 70.06 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.86 0.864 . . . . 0.0 110.872 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.28 -48.29 79.28 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 123.167 0.587 . . . . 0.0 111.593 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.36 82.25 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.499 0.666 . . . . 0.0 109.992 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.0 m -63.5 -47.05 83.3 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.831 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.6 mm -64.64 -39.93 87.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.224 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 45.6 mt-30 -64.18 -38.43 91.04 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.487 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.0 m -65.48 -44.36 87.34 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.428 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.07 -36.02 82.63 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -78.25 -17.14 57.08 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.18 31.81 45.98 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.26 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 17.8 t70 -143.67 101.46 3.77 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 123.013 0.525 . . . . 0.0 109.619 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -97.11 83.54 3.36 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.14 -45.66 66.33 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.169 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.55 -26.37 2.3 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 114.985 0.754 . . . . 0.0 114.985 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -87.47 -60.01 2.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 117.453 0.627 . . . . 0.0 110.095 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 m -133.22 168.0 25.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.964 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.5 tp -135.77 150.82 49.6 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 41.2 m -140.49 110.47 6.51 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.489 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -113.95 175.12 2.42 Favored 'Isoleucine or valine' 0 C--O 1.25 1.098 0 CA-C-O 121.122 0.487 . . . . 0.0 110.912 -179.286 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -85.65 163.98 17.96 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.21 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 67.2 mt-30 -64.04 -34.43 78.0 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.91 0.862 . . . . 0.0 109.134 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.04 -34.81 78.86 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.046 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -74.54 -36.96 63.15 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.43 -30.46 71.24 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.419 0.628 . . . . 0.0 109.829 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 82.0 mtt180 -65.63 -33.4 75.82 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.043 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.476 ' O ' HG13 ' A' ' 57' ' ' ILE . 18.6 m -65.87 -39.62 90.85 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.372 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 28' ' ' TYR . 10.2 mp -60.51 -39.24 87.06 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.12 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.95 -28.63 70.21 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.579 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -79.26 -35.66 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 53' ' ' THR . 47.0 mt -62.42 -48.97 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-O 121.486 0.66 . . . . 0.0 109.972 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -91.23 -2.17 57.53 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.392 -174.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.5 t70 50.34 67.44 0.92 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.362 1.465 . . . . 0.0 111.661 -176.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -139.63 173.5 11.47 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.068 -1.424 . . . . 0.0 108.35 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.7 p -90.01 144.95 32.14 Favored Pre-proline 0 C--N 1.299 -1.63 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.55 -31.35 58.78 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.815 2.343 . . . . 0.0 112.128 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.7 t -61.81 -56.77 15.99 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.4 p -72.24 -26.02 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.495 0.664 . . . . 0.0 110.404 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.5 tm? -63.15 -49.96 72.28 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.0 m -64.45 -34.74 78.9 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.628 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.5 -48.3 77.48 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.751 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -62.44 -51.76 66.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.201 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 65' ' ' LEU . 4.4 mm? -55.71 -43.6 76.67 Favored 'General case' 0 C--O 1.249 1.026 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 77' ' ' ALA . 87.2 mt -73.22 -37.49 52.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.77 178.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -66.05 -24.42 66.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 36.3 m0 -82.92 -15.71 50.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.048 0.452 . . . . 0.0 110.169 176.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.18 15.96 80.33 Favored Glycine 0 CA--C 1.499 -0.958 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.013 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.8 m -93.19 -24.76 5.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.2 tp -111.98 149.41 32.02 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.88 143.77 43.67 Favored 'General case' 0 C--N 1.308 -1.23 0 O-C-N 123.92 0.763 . . . . 0.0 110.337 -177.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.44 ' HA ' HD13 ' A' ' 70' ' ' ILE . . . -69.94 -24.12 63.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -176.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -85.57 -27.1 25.75 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.0 0.428 . . . . 0.0 111.81 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.65 38.84 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.436 1.094 . . . . 0.0 112.823 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -64.68 -20.94 66.6 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.178 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 . . . . . 0 N--CA 1.469 0.514 0 CA-C-O 121.236 0.541 . . . . 0.0 110.807 -177.745 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm . . . . . 0 CA--C 1.499 -1.002 0 CA-C-O 121.214 0.53 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' A' ' 51' ' ' LEU . 2.8 mm? -89.44 97.22 11.07 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.699 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.2 t -103.65 112.73 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.023 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.7 tp -90.69 108.23 19.68 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 11.5 t70 -72.37 105.81 4.25 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.3 mt -75.83 -25.91 56.71 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.455 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -67.39 -46.63 72.68 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.9 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -70.4 -33.62 71.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.091 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -61.58 -36.59 81.09 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.667 -178.575 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.93 -9.51 52.31 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.929 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 m -104.1 -0.77 28.25 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.041 0.924 . . . . 0.0 109.463 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.4 t -88.93 136.47 30.62 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -46.06 124.13 7.07 Favored 'Trans proline' 0 C--O 1.252 1.22 0 C-N-CA 123.1 2.533 . . . . 0.0 112.416 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.96 -18.3 56.4 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.874 0.87 . . . . 0.0 111.623 -177.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.7 -27.18 66.21 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.198 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -117.18 -31.24 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.17 0.51 . . . . 0.0 110.617 177.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.74 -17.06 54.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.54 -65.55 2.54 Favored Glycine 0 CA--C 1.534 1.25 0 N-CA-C 115.217 0.847 . . . . 0.0 115.217 -176.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -68.2 -20.69 43.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 122.148 1.899 . . . . 0.0 111.707 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.0 tp -71.43 -44.87 64.03 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.686 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -65.12 -38.15 89.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.762 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 2.5 mmp_? -60.8 -47.56 85.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.548 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -55.68 -65.06 0.66 Allowed 'General case' 0 CA--C 1.498 -1.023 0 CA-C-O 121.684 0.754 . . . . 0.0 110.065 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.3 -46.17 17.89 Favored 'General case' 0 C--N 1.28 -2.453 0 CA-C-N 113.253 -1.794 . . . . 0.0 113.191 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.93 -46.37 68.41 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 122.309 -0.245 . . . . 0.0 110.934 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 31.9 m -62.63 -43.49 98.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.707 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 mm -59.1 -48.43 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.041 0 O-C-N 123.167 0.292 . . . . 0.0 110.344 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.88 -32.75 74.37 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.9 m -69.59 -39.4 77.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.014 0.435 . . . . 0.0 110.08 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 31' ' ' THR . 28.1 mm-40 -71.94 -35.52 69.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 109.85 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . 5.5 mmm180 -73.0 -27.7 61.93 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.748 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.78 -41.62 2.99 Favored Glycine 0 C--N 1.307 -1.052 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.428 ' OD1' ' HB3' ' A' ' 36' ' ' ARG . 11.8 p-10 -85.55 98.87 10.88 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 122.319 1.057 . . . . 0.0 112.259 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -93.72 107.14 19.05 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -72.84 -51.79 17.43 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.79 -46.37 2.51 Favored Glycine 0 N--CA 1.439 -1.163 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.986 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -74.52 -53.87 8.63 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 121.692 0.758 . . . . 0.0 109.934 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.6 m -138.13 174.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.2 tp -143.89 124.51 14.07 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.3 t -101.33 111.57 23.83 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.531 ' HB ' ' CB ' ' A' ' 50' ' ' ASP . 33.3 pt -110.69 164.41 6.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.259 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -78.42 174.35 11.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.902 0.382 . . . . 0.0 110.363 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -68.41 -31.73 71.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 174.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.45 -37.45 87.57 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.926 -1.488 . . . . 0.0 110.724 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.531 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 9.2 m-20 -69.39 -38.7 78.09 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.083 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.423 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 44.8 tp -55.83 -43.18 76.73 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.503 0.668 . . . . 0.0 109.885 177.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' O ' HG23 ' A' ' 56' ' ' VAL . 79.6 mtp180 -66.05 -35.03 79.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.641 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.462 ' O ' HG13 ' A' ' 57' ' ' ILE . 87.7 m -61.96 -41.37 97.91 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.626 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.7 mp -55.15 -45.49 75.68 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.17 0.51 . . . . 0.0 110.592 176.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -33.83 75.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.361 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 52' ' ' ARG . 59.4 t -70.85 -34.91 57.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.349 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 53' ' ' THR . 49.5 mt -61.18 -44.29 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.571 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.502 ' HB2' ' HG2' ' A' ' 60' ' ' GLN . 4.7 m-85 -96.36 -3.27 44.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.222 -173.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 55.85 64.78 1.63 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.924 1.345 . . . . 0.0 109.914 -172.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.502 ' HG2' ' HB2' ' A' ' 58' ' ' TYR . 28.0 mm-40 -124.71 156.98 36.75 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 113.693 -1.594 . . . . 0.0 108.31 -179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 m -87.23 131.56 44.05 Favored Pre-proline 0 C--N 1.28 -2.454 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 176.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -46.35 -33.36 12.3 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 123.954 3.103 . . . . 0.0 114.474 -176.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.642 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 24.1 m -57.9 -49.99 74.85 Favored 'General case' 0 C--O 1.204 -1.304 0 O-C-N 123.439 0.462 . . . . 0.0 110.745 177.21 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.69 -29.51 23.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.329 0.585 . . . . 0.0 109.681 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.82 -44.8 93.84 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.801 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.467 ' O ' HG13 ' A' ' 70' ' ' ILE . 13.3 p -67.24 -41.96 84.76 Favored 'General case' 0 N--CA 1.408 -2.566 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.684 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 63' ' ' SER . 4.6 mm-40 -59.51 -41.85 90.84 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 123.909 0.755 . . . . 0.0 109.873 -177.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -55.77 -55.6 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.054 0.542 . . . . 0.0 110.832 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD23 ' CZ3' ' A' ' 72' ' ' TRP . 92.3 mt -61.75 -36.23 80.4 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.81 -177.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 66' ' ' THR . 80.6 mt -67.84 -43.64 85.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.1 m -66.36 -28.06 68.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.263 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.501 ' CZ3' HD23 ' A' ' 69' ' ' LEU . 40.3 m0 -80.46 -16.62 53.91 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.614 0.721 . . . . 0.0 109.665 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.28 23.68 31.17 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.746 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.72 -47.25 12.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-O 121.196 0.522 . . . . 0.0 110.603 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 36.0 tp -109.44 159.06 17.35 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.572 -175.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -100.86 156.31 17.44 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.0 -20.1 65.66 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.358 0.663 . . . . 0.0 111.985 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -57.03 -34.58 68.34 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.568 0.747 . . . . 0.0 110.629 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.66 -24.75 67.92 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.109 -0.95 . . . . 0.0 113.019 -177.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.4 mtp-105 -63.88 -23.6 67.41 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.128 0.489 . . . . 0.0 110.314 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 . . . . . 0 C--O 1.212 -0.89 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.955 179.751 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt . . . . . 0 C--O 1.251 1.135 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.4 mt -92.3 115.99 28.57 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.948 -172.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.1 t -93.79 114.05 29.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.156 -177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.2 tp -101.9 124.13 47.0 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -91.09 113.91 26.3 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.7 mt -80.18 -19.41 47.16 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.748 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -80.77 -41.46 23.41 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.968 0.89 . . . . 0.0 108.685 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -64.74 -38.63 91.63 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.508 -1.223 . . . . 0.0 107.759 176.449 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.6 -28.76 69.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.223 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.51 -12.25 60.0 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -97.53 -1.46 43.95 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-O 121.845 0.831 . . . . 0.0 108.993 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.6 t -97.67 128.57 33.91 Favored Pre-proline 0 C--N 1.313 -1.002 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -36.76 130.98 0.45 Allowed 'Trans proline' 0 C--O 1.254 1.29 0 C-N-CA 124.631 3.554 . . . . 0.0 113.864 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.7 -18.69 55.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.433 -176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -63.78 -35.85 81.95 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.323 0.582 . . . . 0.0 109.566 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -98.85 -46.18 5.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.449 0.642 . . . . 0.0 109.734 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.15 -8.98 58.36 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.61 -66.72 2.61 Favored Glycine 0 N--CA 1.472 1.066 0 N-CA-C 114.192 0.437 . . . . 0.0 114.192 -176.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.89 -24.36 74.26 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.361 2.041 . . . . 0.0 111.986 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 23.0 tp -71.43 -46.29 60.46 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -62.76 -38.96 92.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.408 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -60.76 -47.61 85.54 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.816 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -71.4 -34.17 70.13 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.006 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.79 95.84 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.59 0.356 . . . . 0.0 110.496 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.22 92.33 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.59 0.709 . . . . 0.0 109.725 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.6 m -63.41 -40.27 96.73 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.302 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.51 -40.21 87.48 Favored 'Isoleucine or valine' 0 C--O 1.246 0.903 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.516 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.26 -39.26 89.7 Favored 'General case' 0 C--O 1.208 -1.111 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.551 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.6 t -62.52 -43.14 99.54 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -56.99 -50.22 73.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.244 0.545 . . . . 0.0 111.02 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -79.96 -10.65 59.79 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.3 34.74 90.73 Favored Glycine 0 CA--C 1.516 0.145 0 N-CA-C 108.701 -1.759 . . . . 0.0 108.701 -172.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -85.81 149.3 25.35 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.426 -0.887 . . . . 0.0 110.465 -172.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -136.04 20.93 3.24 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.94 -173.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -73.71 -65.92 0.77 Allowed 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.758 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.12 -16.02 18.86 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.354 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -98.48 -62.3 1.26 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.052 0.453 . . . . 0.0 109.977 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.39 140.26 46.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.3 tp -120.88 127.36 51.8 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.1 t -95.4 118.9 32.97 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.3 pt -124.83 167.61 18.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.709 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -111.94 175.38 5.45 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.333 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -65.91 -30.9 71.57 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -69.28 -27.13 65.14 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -73.43 -57.07 4.26 Favored 'General case' 0 CA--C 1.485 -1.525 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.3 tp -57.46 -35.5 70.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.118 -174.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -65.37 -29.8 70.55 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.082 0.467 . . . . 0.0 110.75 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.461 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.1 m -72.21 -37.15 69.28 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.584 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.43 -34.0 75.91 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.312 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.04 86.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.92 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.81 -37.44 78.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.867 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 53' ' ' THR . 44.3 mt -65.82 -42.56 92.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.661 -178.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 6.0 m-85 -90.62 -1.45 57.88 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.083 0.468 . . . . 0.0 110.787 -175.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 68.75 48.61 0.76 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.783 1.233 . . . . 0.0 110.876 174.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -134.08 156.67 47.84 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.915 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.0 m -76.58 143.28 71.74 Favored Pre-proline 0 C--N 1.302 -1.458 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -42.47 -40.83 7.56 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 124.142 3.228 . . . . 0.0 114.408 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.6 p -60.4 -52.99 62.88 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-O 121.162 0.506 . . . . 0.0 111.267 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.03 -44.23 97.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 C-N-CA 123.735 0.814 . . . . 0.0 109.421 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.433 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.4 tm? -56.46 -45.66 80.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.747 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.2 m -59.1 -46.2 88.91 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.799 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -64.92 -39.36 93.39 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.739 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -57.14 -53.43 58.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 65' ' ' LEU . 4.1 mm? -58.04 -41.88 84.19 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.77 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 93.4 mt -71.14 -35.11 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.9 m -65.77 -33.43 75.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.624 0.249 . . . . 0.0 110.939 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -78.5 -13.28 59.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.03 0.443 . . . . 0.0 110.599 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.26 19.18 79.57 Favored Glycine 0 CA--C 1.505 -0.575 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.975 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.8 m -96.0 -25.48 4.38 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.31 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 69' ' ' LEU . 48.0 tp -111.84 135.38 52.53 Favored 'General case' 0 N--CA 1.422 -1.875 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 177.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -63.37 129.87 42.06 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 123.919 0.762 . . . . 0.0 109.674 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.11 -36.21 18.29 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 124.283 1.033 . . . . 0.0 112.545 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -53.83 -23.98 14.09 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.427 1.091 . . . . 0.0 112.935 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.01 -25.52 58.68 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.179 0.592 . . . . 0.0 112.114 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -23.54 66.62 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.872 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 . . . . . 0 C--O 1.239 0.545 0 CA-C-O 121.088 0.471 . . . . 0.0 111.263 177.625 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm . . . . . 0 CA--C 1.496 -1.129 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.9 mt -108.21 114.64 28.67 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.85 126.11 64.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 CA-C-O 121.356 0.598 . . . . 0.0 111.585 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.1 mt -106.64 123.15 47.69 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.617 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.15 104.02 8.46 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 173.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.39 -26.84 64.84 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.295 0.569 . . . . 0.0 110.465 -178.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.86 -37.55 81.99 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.119 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -75.21 -34.4 61.48 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.92 -31.3 72.35 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.686 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.2 -7.34 53.58 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.234 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -92.38 -13.93 29.41 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 122.116 0.96 . . . . 0.0 108.73 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.9 t -84.22 137.3 39.9 Favored Pre-proline 0 C--N 1.312 -1.04 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.8 135.41 13.6 Favored 'Trans proline' 0 C--N 1.363 1.333 0 C-N-CA 123.34 2.693 . . . . 0.0 112.119 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.16 -18.81 62.05 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 123.656 0.782 . . . . 0.0 112.566 -174.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.42 -40.22 90.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.938 0.399 . . . . 0.0 110.192 175.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -99.51 -35.33 9.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.769 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.37 -35.62 73.63 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.871 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.58 -56.43 22.24 Favored Glycine 0 CA--C 1.534 1.273 0 CA-C-O 119.537 -0.591 . . . . 0.0 114.28 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.65 -30.52 66.42 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 122.84 2.36 . . . . 0.0 112.683 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -83.68 -35.24 24.67 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.864 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 12.7 mm-40 -63.09 -32.78 74.24 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-O 120.806 0.336 . . . . 0.0 110.958 175.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -61.19 -40.17 92.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.231 0.539 . . . . 0.0 111.139 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.504 ' O ' HG12 ' A' ' 32' ' ' ILE . 51.4 t80 -72.25 -44.47 62.81 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -59.85 -43.74 94.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.93 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.77 84.16 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.653 0.74 . . . . 0.0 110.184 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.426 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 75.2 m -69.77 -41.95 74.46 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.277 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 28' ' ' TYR . 51.7 mm -60.2 -46.33 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 98.2 mt-30 -53.34 -56.48 16.39 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.229 0.538 . . . . 0.0 110.396 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.0 p -66.32 -39.11 89.06 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 31' ' ' THR . 80.6 mm-40 -69.51 -30.29 68.11 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 42.5 mtm180 -83.9 -21.62 31.86 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.57 19.27 68.85 Favored Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -176.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -124.37 118.32 26.45 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 123.391 0.676 . . . . 0.0 109.892 -174.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -97.9 104.84 16.91 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -128.25 119.65 25.59 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.95 16.37 23.11 Favored Glycine 0 C--N 1.304 -1.223 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.407 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -60.74 1.47 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.189 0.519 . . . . 0.0 109.936 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 m -136.28 152.9 30.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 tp -134.27 113.33 11.85 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.1 p -93.39 107.44 19.27 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-O 121.753 0.787 . . . . 0.0 110.058 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 pt -104.23 -179.58 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.552 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.74 -175.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -100.72 169.08 9.26 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.78 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -60.69 -30.03 69.68 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.471 175.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.61 -30.96 64.79 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.932 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 51.3 m-20 -70.19 -47.34 61.96 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.745 -177.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 tp -63.1 -35.99 82.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.425 0.631 . . . . 0.0 109.776 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -64.16 -44.57 91.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.137 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.545 ' O ' HG13 ' A' ' 57' ' ' ILE . 91.7 m -62.81 -38.63 91.46 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.082 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 50' ' ' ASP . 87.6 mt -57.17 -44.9 83.95 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.161 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.09 70.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.987 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.7 t -73.24 -41.21 58.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.929 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 53' ' ' THR . 39.4 mt -62.77 -51.11 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 121.164 0.507 . . . . 0.0 110.619 -178.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -83.49 -10.5 58.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.365 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.5 t70 62.9 59.06 1.42 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.785 1.234 . . . . 0.0 110.133 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -129.99 148.08 51.81 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.121 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m -69.84 142.13 90.59 Favored Pre-proline 0 C--N 1.301 -1.511 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -43.95 -45.54 11.48 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 124.015 3.143 . . . . 0.0 114.527 -176.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.492 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 44.5 t -62.82 -57.1 12.06 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.866 -0.111 . . . . 0.0 111.032 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.435 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 34.3 m -65.44 -33.84 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -176.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.52 -46.53 89.55 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 m -66.41 -37.8 86.03 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.676 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 63' ' ' SER . 38.5 mt-10 -57.64 -45.03 86.0 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.356 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.453 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -53.72 -59.82 4.12 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 123.849 0.718 . . . . 0.0 109.742 178.366 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.3 -40.81 78.6 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 98.7 mt -67.1 -41.86 87.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.97 0.414 . . . . 0.0 110.725 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.3 m -70.0 -32.77 71.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.462 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -72.48 -17.49 61.76 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.24 12.68 78.48 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.5 t -83.4 -38.89 14.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.511 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 48.9 tp -118.43 156.08 29.65 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -106.28 175.07 5.62 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.794 -1.162 . . . . 0.0 109.806 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -61.69 -42.76 99.36 Favored 'General case' 0 C--O 1.207 -1.141 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -171.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -47.27 -25.96 1.09 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.006 1.322 . . . . 0.0 114.058 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.42 -31.88 69.68 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.574 0.349 . . . . 0.0 111.767 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 7.3 ptm180 -69.81 -27.92 65.28 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 121.2 0.524 . . . . 0.0 109.725 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? . . . . . 0 C--N 1.321 -0.667 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 179.433 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttm . . . . . 0 N--CA 1.443 -0.793 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.1 108.95 20.21 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 60.9 t -89.39 112.99 25.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.367 -176.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.8 tp -94.6 104.73 16.67 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.01 107.36 8.16 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -75.6 -28.82 59.05 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.391 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -63.88 -44.67 92.34 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.955 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -70.06 -47.75 60.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.585 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 tp -55.14 -41.52 71.87 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.702 0.801 . . . . 0.0 112.264 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.72 -17.3 64.78 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.0 m -91.52 -16.73 26.76 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-O 121.428 0.633 . . . . 0.0 110.491 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -77.96 129.92 74.48 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -44.6 139.59 7.04 Favored 'Trans proline' 0 C--N 1.366 1.45 0 C-N-CA 123.942 3.094 . . . . 0.0 113.998 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.18 -26.23 62.52 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 124.489 1.116 . . . . 0.0 112.062 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.11 -21.93 66.73 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.791 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -111.17 -52.65 2.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.903 0.382 . . . . 0.0 110.541 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.36 2.13 33.59 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -172.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.95 -60.81 8.25 Favored Glycine 0 N--CA 1.474 1.185 0 N-CA-C 114.448 0.539 . . . . 0.0 114.448 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.87 -22.37 63.29 Favored 'Trans proline' 0 C--O 1.244 0.811 0 C-N-CA 121.85 1.7 . . . . 0.0 111.635 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.0 tp -75.44 -41.51 55.65 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.853 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -62.74 -40.67 97.96 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -60.64 -50.06 75.03 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.224 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.451 ' O ' HG13 ' A' ' 32' ' ' ILE . 3.3 t80 -62.56 -45.16 94.19 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.739 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.35 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.866 0.467 . . . . 0.0 111.244 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.57 71.51 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.202 0.525 . . . . 0.0 110.429 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.416 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 41.1 m -71.85 -40.55 68.96 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.427 -0.806 . . . . 0.0 108.983 177.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 28' ' ' TYR . 62.5 mt -61.7 -41.46 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 176.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.82 -42.09 88.36 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.669 176.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.4 t -64.72 -44.73 89.24 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 31' ' ' THR . 96.1 mt-30 -64.43 -24.05 67.49 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.217 0.607 . . . . 0.0 111.381 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -95.11 -19.66 19.94 Favored 'General case' 0 C--N 1.313 -0.983 0 O-C-N 122.19 -0.319 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.78 40.01 58.88 Favored Glycine 0 C--O 1.238 0.374 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -89.87 142.76 27.39 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.277 -0.961 . . . . 0.0 111.82 -174.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -138.51 10.85 2.73 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.752 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -120.87 46.06 2.11 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.601 1.191 . . . . 0.0 108.052 -174.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.25 54.39 3.56 Favored Glycine 0 N--CA 1.434 -1.498 0 CA-C-N 114.348 -1.296 . . . . 0.0 115.58 -175.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -85.45 -44.38 12.79 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.33 144.75 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.833 0 CA-C-N 113.65 -1.614 . . . . 0.0 106.902 174.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.9 tp -125.19 124.1 41.02 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -84.32 107.28 16.52 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.7 pt -98.57 171.42 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.62 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.515 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -103.57 167.2 9.95 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -174.263 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -64.1 -49.14 73.41 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 10.6 t70 -67.66 -26.89 66.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.142 177.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.433 ' HB2' ' HB2' ' A' ' 47' ' ' ARG . 2.6 t70 -68.73 -46.97 67.51 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.56 -34.84 76.53 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.842 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.488 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 75.4 ttt180 -53.78 -43.95 69.69 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.274 1.029 . . . . 0.0 109.087 173.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.7 m -67.09 -49.93 63.35 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.234 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.07 -45.87 82.92 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.789 0.835 . . . . 0.0 113.036 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.41 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . . . -53.59 -39.86 65.2 Favored 'General case' 0 C--O 1.246 0.877 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.83 -32.78 56.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.399 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.44 -32.2 57.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.123 0.487 . . . . 0.0 109.93 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -101.06 7.5 43.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 -174.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 60.98 28.95 18.71 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.666 0.786 . . . . 0.0 111.649 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -103.26 139.24 38.97 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.613 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.5 t -65.74 135.52 95.57 Favored Pre-proline 0 N--CA 1.424 -1.761 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 172.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -49.57 -40.32 45.94 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.27 2.647 . . . . 0.0 112.135 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 m -60.3 -45.56 92.94 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.419 0.687 . . . . 0.0 110.421 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.5 t -74.88 -46.73 39.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.695 -177.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.41 ' HG ' ' HA ' ' A' ' 55' ' ' ALA . 3.2 tm? -55.81 -53.86 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.414 0.686 . . . . 0.0 110.533 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.465 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.3 m -58.37 -45.91 87.35 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.483 0.489 . . . . 0.0 110.812 -178.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.92 -28.36 65.53 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -61.05 -54.3 46.46 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.19 -41.17 87.88 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.433 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 66' ' ' THR . 91.9 mt -61.28 -46.15 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 176.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -65.67 -34.08 77.38 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -70.24 -16.97 63.11 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.977 0.894 . . . . 0.0 109.864 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.43 35.98 6.74 Favored Glycine 0 CA--C 1.483 -1.93 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.4 t -93.4 -48.06 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 CA-C-N 114.647 -0.776 . . . . 0.0 110.175 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.431 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 2.5 pt? -131.92 173.76 10.86 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.33 156.08 33.63 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.881 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.46 -12.89 60.95 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 124.168 0.987 . . . . 0.0 113.545 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.439 ' HA ' ' NH2' ' A' ' 81' ' ' ARG . 26.9 t70 -70.25 -19.61 63.11 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.01 0.524 . . . . 0.0 111.961 -177.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' HB3' HD11 ' A' ' 70' ' ' ILE . . . -44.48 -25.4 0.26 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -176.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -59.72 -29.88 68.43 Favored 'General case' 0 C--O 1.246 0.911 0 O-C-N 122.227 -0.296 . . . . 0.0 110.415 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.439 ' NH2' ' HA ' ' A' ' 78' ' ' ASP . 2.8 mpp_? . . . . . 0 C--O 1.213 -0.817 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.7 mttp . . . . . 0 N--CA 1.435 -1.212 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.5 mt -98.38 118.07 34.23 Favored 'General case' 0 C--N 1.286 -2.16 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -89.25 112.7 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.585 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.6 tp -93.84 121.98 35.85 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -81.52 109.2 15.75 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 41' ' ' GLY . 76.4 mt -80.02 -17.56 52.48 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.677 -175.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.26 -43.08 64.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.2 mmm180 -65.63 -39.63 91.67 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.367 174.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.54 -32.71 74.25 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.378 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.5 -22.73 54.1 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.543 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.41 -25.59 20.31 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.964 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 13' ' ' ARG . 96.9 t -68.12 129.24 93.11 Favored Pre-proline 0 C--O 1.241 0.639 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -45.93 137.94 12.54 Favored 'Trans proline' 0 C--O 1.261 1.648 0 C-N-CA 123.61 2.873 . . . . 0.0 113.664 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.28 -17.3 52.88 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.881 1.273 . . . . 0.0 111.847 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -50.1 -44.93 52.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -106.12 -49.4 3.38 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.387 -174.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.55 -7.52 57.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.77 -65.09 3.67 Favored Glycine 0 N--CA 1.473 1.119 0 N-CA-C 114.271 0.468 . . . . 0.0 114.271 -175.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -60.15 -26.13 81.73 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.575 2.183 . . . . 0.0 112.41 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.71 -39.11 67.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.915 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.79 -38.17 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.277 0.56 . . . . 0.0 109.516 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -70.95 -37.66 72.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.728 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CE2' HD11 ' A' ' 32' ' ' ILE . 84.7 t80 -59.28 -46.4 88.64 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -61.6 -46.62 89.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.244 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.1 72.71 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.303 0.641 . . . . 0.0 110.813 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 85.6 m -63.32 -45.47 91.14 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.907 177.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.543 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 56.2 mt -63.25 -49.31 83.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 77.0 mt-30 -51.7 -53.8 35.2 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.91 0.884 . . . . 0.0 111.498 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 p -63.16 -37.76 88.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.559 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 31' ' ' THR . 28.2 mt-30 -65.96 -41.88 90.68 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 120.592 0.235 . . . . 0.0 110.878 178.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 22.9 mmt180 -77.15 -21.12 54.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.306 0.574 . . . . 0.0 110.492 -177.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.17 23.15 66.59 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -113.03 112.16 23.4 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 115.145 -0.528 . . . . 0.0 110.966 -176.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -100.97 71.91 1.45 Allowed 'General case' 0 N--CA 1.424 -1.771 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 172.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -78.95 -37.93 38.37 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 113.922 -1.49 . . . . 0.0 109.07 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . 68.54 -45.63 0.38 Allowed Glycine 0 C--O 1.21 -1.405 0 N-CA-C 117.943 1.937 . . . . 0.0 117.943 166.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.8 -37.9 67.4 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 117.77 0.785 . . . . 0.0 112.271 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.7 m -144.85 173.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.5 tp -151.09 140.63 21.59 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -95.73 111.46 23.4 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 pt -115.49 161.53 14.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -91.37 169.33 10.89 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 44.6 mt-30 -67.46 -29.7 69.23 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.038 0.923 . . . . 0.0 108.519 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.22 -28.57 62.24 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.276 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.502 ' O ' HD13 ' A' ' 54' ' ' LEU . 11.7 m-20 -63.4 -44.53 94.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 174.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -53.71 -44.4 69.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.177 0.991 . . . . 0.0 109.284 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 43.4 mtp-105 -66.24 -35.38 80.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.073 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.452 ' O ' HG13 ' A' ' 57' ' ' ILE . 31.1 m -69.08 -39.87 78.8 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.079 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 50' ' ' ASP . 8.0 mp -54.05 -43.35 70.15 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.298 0.639 . . . . 0.0 111.317 176.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.89 -36.78 75.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.959 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.93 -42.45 79.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 53' ' ' THR . 42.5 mt -61.92 -48.25 89.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.17 -177.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -90.86 3.81 53.48 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.684 -0.407 . . . . 0.0 111.323 -173.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 57.37 62.52 2.14 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.93 0.892 . . . . 0.0 110.737 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -135.8 171.05 15.02 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.619 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.3 m -92.04 144.36 29.05 Favored Pre-proline 0 C--N 1.296 -1.728 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -51.79 -38.13 66.73 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.862 2.375 . . . . 0.0 112.228 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 5.9 m -58.11 -57.28 13.53 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.681 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.48 -27.15 35.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 121.037 0.446 . . . . 0.0 110.761 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 1.9 tm? -66.17 -40.49 90.54 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 m -67.44 -43.36 81.33 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 63' ' ' SER . 46.1 mt-10 -55.86 -51.61 66.92 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.155 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -57.17 -53.37 58.83 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 123.695 0.622 . . . . 0.0 111.281 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 65' ' ' LEU . 22.8 mt -61.04 -40.97 95.63 Favored 'General case' 0 C--O 1.249 1.06 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.65 -39.5 83.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-O 120.59 0.233 . . . . 0.0 110.455 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.4 m -68.72 -33.95 74.8 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -76.26 -17.54 59.43 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.34 0.59 . . . . 0.0 109.786 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.54 7.27 72.3 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.847 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.472 HG12 ' CB ' ' A' ' 13' ' ' ARG . 23.3 m -81.07 -19.23 11.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.135 0.493 . . . . 0.0 109.72 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.1 tp -129.83 146.09 51.57 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -77.96 151.29 33.75 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -59.9 -31.42 69.79 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.67 -20.76 36.01 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 118.246 0.475 . . . . 0.0 112.21 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.62 -29.84 71.03 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.031 -0.532 . . . . 0.0 112.095 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 7.5 ptm180 -60.9 -34.84 75.28 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.813 0.816 . . . . 0.0 109.968 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 . . . . . 0 N--CA 1.431 -1.377 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.029 -178.894 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 36.3 mtmm . . . . . 0 N--CA 1.426 -1.641 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.12 114.91 11.82 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.663 -175.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.5 t -89.47 122.69 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.292 -177.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.4 mt -106.89 127.07 53.11 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.568 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -79.32 115.26 18.86 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.5 mt -80.37 -25.47 39.14 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -174.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -79.18 -34.8 42.71 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.132 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.2 tpp180 -65.89 -38.48 88.87 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.5 tp -57.62 -40.31 78.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.773 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.65 -21.55 63.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.959 0.409 . . . . 0.0 111.566 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.9 p -94.36 10.41 34.4 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.369 0.604 . . . . 0.0 111.666 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 13' ' ' ARG . 94.3 t -101.13 136.0 19.8 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -38.42 134.86 0.75 Allowed 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 124.781 3.654 . . . . 0.0 114.365 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.14 -22.94 63.48 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.335 1.054 . . . . 0.0 112.789 -176.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.77 -33.39 74.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.618 0.723 . . . . 0.0 110.274 177.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -97.85 -53.8 3.29 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.495 -176.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -91.97 -8.72 45.38 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.16 -58.92 10.94 Favored Glycine 0 N--CA 1.47 0.955 0 O-C-N 123.423 0.452 . . . . 0.0 112.973 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -58.0 -34.12 98.03 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.162 1.908 . . . . 0.0 111.752 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.5 tp -71.94 -28.7 63.63 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.724 -177.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 72.9 mm-40 -58.43 -48.06 81.92 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 175.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -62.21 -51.08 69.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.791 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.49 ' CE2' HD11 ' A' ' 32' ' ' ILE . 84.0 t80 -54.53 -53.84 49.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.793 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.64 99.16 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.446 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.2 77.57 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.989 0.423 . . . . 0.0 111.054 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.6 m -66.91 -44.04 81.78 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.776 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.49 HD11 ' CE2' ' A' ' 28' ' ' TYR . 74.2 mt -56.52 -47.72 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 O-C-N 123.462 0.476 . . . . 0.0 109.725 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -59.46 -57.06 14.64 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.381 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -53.86 -42.89 69.07 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.063 0.945 . . . . 0.0 111.804 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -67.31 -34.02 76.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.903 0.383 . . . . 0.0 111.989 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -91.24 7.02 42.82 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.31 9.09 48.67 Favored Glycine 0 C--N 1.32 -0.333 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.551 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 78.49 139.47 0.07 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.5 1.52 . . . . 0.0 112.428 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -134.6 -177.03 4.42 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.88 -177.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 42' ' ' LYS . 88.1 m-20 -71.35 116.96 12.29 Favored 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.85 21.75 0.59 Allowed Glycine 0 C--N 1.296 -1.682 0 CA-C-N 115.414 -0.812 . . . . 0.0 114.529 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 40' ' ' ASN . 50.8 mtmt -100.58 -49.55 4.17 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 123.631 0.772 . . . . 0.0 109.723 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.4 m -140.49 142.82 30.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.323 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 53.8 tp -122.54 154.86 37.33 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' A' ' 6' ' ' LYS . 20.2 m -135.36 127.78 30.43 Favored 'General case' 0 C--N 1.31 -1.146 0 O-C-N 122.034 -0.417 . . . . 0.0 110.781 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 pp -137.97 176.49 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 122.824 0.45 . . . . 0.0 111.334 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -94.74 167.61 11.34 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.584 0.707 . . . . 0.0 112.111 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -57.34 -38.06 73.54 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.587 -1.188 . . . . 0.0 113.174 -175.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -76.46 -23.72 53.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.631 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -77.17 -42.85 36.04 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.5 tp -64.43 -28.6 69.79 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.203 0.525 . . . . 0.0 110.941 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -67.31 -22.23 65.63 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.95 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.555 ' O ' HG13 ' A' ' 57' ' ' ILE . 22.9 m -61.48 -31.85 71.84 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.595 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.44 -34.86 76.13 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.027 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.19 -33.6 76.39 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.589 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.6 t -75.26 -38.5 41.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.23 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 53' ' ' THR . 48.6 mt -61.54 -50.69 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.793 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.0 -1.83 58.23 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.317 -175.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 53.54 66.16 1.31 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.491 1.138 . . . . 0.0 111.808 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -142.54 167.3 22.41 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 113.774 -1.557 . . . . 0.0 108.212 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.0 t -83.59 147.85 53.5 Favored Pre-proline 0 C--N 1.303 -1.428 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.86 -29.98 45.59 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 123.172 2.581 . . . . 0.0 112.156 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m -56.59 -45.95 81.11 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.189 0.996 . . . . 0.0 112.139 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.5 -28.11 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.216 0.531 . . . . 0.0 109.978 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -64.4 -54.77 27.49 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.052 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 t -63.3 -34.66 78.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.94 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.45 -37.28 86.97 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.852 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -63.88 -54.25 37.74 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 110.617 -0.142 . . . . 0.0 110.617 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.03 -41.39 71.29 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 123.396 0.435 . . . . 0.0 111.974 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.9 mt -72.23 -37.5 59.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.596 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.5 p -68.81 -28.45 66.76 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.811 -0.555 . . . . 0.0 112.001 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.7 m0 -80.82 -16.73 52.97 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-O 121.014 0.435 . . . . 0.0 110.46 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.58 16.18 71.59 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.199 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.1 t -82.92 -36.38 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.4 tp -116.45 144.31 44.47 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -67.55 144.3 55.69 Favored 'General case' 0 C--O 1.241 0.646 0 O-C-N 123.776 0.672 . . . . 0.0 110.598 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.02 -33.97 69.54 Favored 'General case' 0 C--O 1.197 -1.698 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.9 -20.29 33.29 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.62 -24.34 60.82 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.159 0.584 . . . . 0.0 111.82 -178.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 80' ' ' ARG . 12.7 ptm180 -50.59 -31.52 16.15 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.531 1.132 . . . . 0.0 111.958 176.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.684 0.278 . . . . 0.0 111.266 -176.335 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? . . . . . 0 N--CA 1.433 -1.28 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 45' ' ' SER . 67.8 mt -85.11 96.74 9.54 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.253 -175.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.8 t -99.46 112.66 32.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -99.55 129.27 45.7 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.8 t70 -85.25 106.59 16.78 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 mt -75.55 -17.55 60.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.107 -174.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -73.47 -42.65 61.63 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 17' ' ' VAL . 31.1 tpt180 -61.67 -32.88 73.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.255 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.33 -12.34 61.58 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.455 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.73 -29.36 32.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.994 0.426 . . . . 0.0 110.056 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p -88.72 -10.61 47.77 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.31 0.576 . . . . 0.0 111.961 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 13' ' ' ARG . 97.2 t -91.3 132.05 34.93 Favored Pre-proline 0 C--N 1.312 -1.034 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 175.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.06 140.95 6.84 Favored 'Trans proline' 0 C--O 1.253 1.247 0 C-N-CA 123.559 2.84 . . . . 0.0 113.864 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -17.74 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.157 0.983 . . . . 0.0 111.687 -177.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -75.24 -12.32 60.26 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.52 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.413 ' HB3' ' CZ2' ' A' ' 72' ' ' TRP . 54.3 mttm -113.17 -53.07 2.74 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 177.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.95 -7.62 36.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -173.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.508 ' O ' ' HG2' ' A' ' 27' ' ' ARG . . . -59.77 -61.86 6.75 Favored Glycine 0 C--N 1.314 -0.648 0 CA-C-O 119.513 -0.604 . . . . 0.0 113.61 -177.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.42 -22.89 65.53 Favored 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 121.973 1.782 . . . . 0.0 111.81 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.515 ' HB2' ' OH ' ' A' ' 58' ' ' TYR . 4.1 tt -70.57 -46.49 63.4 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 177.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -64.63 -31.42 72.64 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.417 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 35.3 mmt180 -61.32 -50.3 73.53 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 175.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.45 ' O ' HG12 ' A' ' 32' ' ' ILE . 52.5 t80 -56.83 -48.22 78.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.424 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.09 -50.9 71.36 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.363 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.8 83.58 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 68.1 m -61.95 -46.9 87.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.65 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 49.4 mm -59.53 -45.26 94.06 Favored 'Isoleucine or valine' 0 C--O 1.249 1.054 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -57.78 -54.51 46.03 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 123.728 0.642 . . . . 0.0 110.257 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 p -67.91 -31.94 72.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 31' ' ' THR . 81.6 mm-40 -65.65 -41.67 92.3 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.537 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 6.3 ptm180 -88.52 -12.09 43.87 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.008 177.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.67 29.93 74.29 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.691 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -98.01 -170.53 1.99 Allowed 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.162 -176.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -122.36 -178.75 3.97 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -171.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.8 t30 72.41 90.26 0.09 Allowed 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.227 0.955 . . . . 0.0 112.189 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.44 30.41 9.91 Favored Glycine 0 N--CA 1.434 -1.461 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.095 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -95.95 -29.45 14.15 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.096 0.474 . . . . 0.0 109.796 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.5 m -143.38 138.37 26.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 123.938 0.895 . . . . 0.0 109.577 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.5 tp -124.79 124.2 41.62 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 18.8 m -101.52 110.13 22.07 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.461 ' HB ' ' CB ' ' A' ' 50' ' ' ASP . 38.5 pt -105.73 171.3 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -98.73 -178.95 4.14 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.252 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -60.73 -49.96 75.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.664 0.785 . . . . 0.0 111.672 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -69.21 -21.75 63.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.424 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.461 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 78.9 m-20 -70.13 -45.93 65.84 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.382 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.5 tp -60.02 -38.43 82.65 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.744 0.783 . . . . 0.0 109.477 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.2 mtp180 -61.67 -44.3 97.22 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.679 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.3 m -64.83 -34.91 79.49 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.221 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.14 -37.61 83.46 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.115 0.483 . . . . 0.0 111.151 174.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.7 81.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.137 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 52' ' ' ARG . 65.9 t -67.7 -30.13 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.506 -177.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.8 mt -59.16 -41.62 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-O 121.628 0.728 . . . . 0.0 109.475 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.515 ' OH ' ' HB2' ' A' ' 25' ' ' LEU . 7.8 m-85 -97.15 -0.56 46.74 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.663 -175.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 63.52 31.99 14.48 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 122.128 0.966 . . . . 0.0 110.562 -176.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -103.5 166.73 10.25 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.404 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.5 t -89.2 142.88 30.3 Favored Pre-proline 0 C--N 1.29 -2.013 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -54.1 -27.5 46.48 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.459 2.773 . . . . 0.0 113.429 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.7 m -64.44 -56.68 12.63 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 122.53 0.332 . . . . 0.0 111.365 -178.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.35 -26.35 31.33 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 121.609 0.719 . . . . 0.0 109.971 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.4 tm? -65.25 -53.61 41.78 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.706 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.6 t -65.64 -31.92 73.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.316 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -63.92 -44.71 92.08 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 123.114 0.259 . . . . 0.0 110.912 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.85 -46.53 84.6 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.817 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 65' ' ' LEU . 3.5 mm? -52.84 -42.55 65.29 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.862 0.465 . . . . 0.0 112.222 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.2 mt -75.25 -36.56 37.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 120.902 0.382 . . . . 0.0 110.336 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.8 t -73.44 -30.41 63.18 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.413 ' CZ2' ' HB3' ' A' ' 21' ' ' LYS . 45.1 m0 -73.1 -16.65 61.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.322 0.582 . . . . 0.0 109.509 177.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.95 25.12 46.4 Favored Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.583 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.411 HG12 ' HB2' ' A' ' 72' ' ' TRP . 2.9 p -101.23 -31.71 3.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 O-C-N 122.612 -0.346 . . . . 0.0 110.919 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -109.92 146.43 35.19 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.13 148.94 51.19 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.228 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.31 96.48 Favored 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 123.279 0.631 . . . . 0.0 112.378 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.85 -20.03 63.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.421 0.689 . . . . 0.0 111.894 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.18 -23.82 56.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.529 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -43.17 -31.46 0.59 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.331 1.452 . . . . 0.0 112.838 176.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 . . . . . 0 C--O 1.222 -0.392 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -175.673 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm . . . . . 0 N--CA 1.433 -1.286 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.5 mt -107.53 140.82 39.93 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.342 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -97.94 119.98 46.68 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.754 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.8 tp -103.34 126.19 50.37 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -85.52 115.11 23.04 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.05 -28.77 60.53 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -174.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -78.93 -38.21 37.87 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -67.73 -33.81 75.62 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.55 -40.86 88.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.296 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.72 -9.08 58.22 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.601 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 m -92.83 -8.0 44.77 Favored 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 122.051 0.929 . . . . 0.0 109.047 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.501 ' HB ' ' HB2' ' A' ' 22' ' ' ALA . 97.9 t -86.87 140.19 33.05 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.392 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -45.01 141.04 6.62 Favored 'Trans proline' 0 CA--C 1.554 1.517 0 C-N-CA 123.828 3.019 . . . . 0.0 113.385 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.43 63.3 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.198 1.399 . . . . 0.0 113.901 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -69.42 -7.13 34.91 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -123.31 -37.92 2.63 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.079 0.466 . . . . 0.0 110.295 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.501 ' HB2' ' HB ' ' A' ' 17' ' ' VAL . . . -78.41 -39.79 37.87 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.68 -62.24 3.37 Favored Glycine 0 N--CA 1.475 1.287 0 N-CA-C 115.029 0.772 . . . . 0.0 115.029 -173.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.32 -32.93 97.17 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.514 2.143 . . . . 0.0 112.535 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.1 tp -78.17 -33.04 50.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.546 -178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 51.5 mt-30 -66.41 -37.68 85.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -62.25 -48.35 80.36 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.174 174.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.489 ' O ' HG12 ' A' ' 32' ' ' ILE . 37.3 t80 -55.22 -50.55 69.13 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.969 0.793 . . . . 0.0 109.303 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.586 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -58.23 -46.92 85.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.95 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.48 79.66 Favored 'General case' 0 C--O 1.247 0.956 0 C-N-CA 122.729 0.412 . . . . 0.0 110.956 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.8 m -64.64 -48.08 76.15 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 28' ' ' TYR . 46.6 mm -56.63 -51.2 69.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 C-N-CA 123.21 0.604 . . . . 0.0 110.934 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.4 mm100 -51.94 -45.81 64.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.606 0.762 . . . . 0.0 110.521 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 m -74.16 -46.16 44.12 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.999 -1.001 . . . . 0.0 112.979 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -75.27 -30.13 60.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -83.07 -26.29 31.25 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.005 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.27 26.36 36.79 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -127.63 93.46 3.71 Favored 'General case' 0 CA--C 1.489 -1.38 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.175 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -87.44 74.21 9.4 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -81.59 109.99 16.54 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.61 -53.1 47.72 Favored Glycine 0 C--N 1.299 -1.497 0 N-CA-C 117.002 1.561 . . . . 0.0 117.002 -170.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.515 ' HG3' HG13 ' A' ' 43' ' ' VAL . 22.4 tptm -82.83 -50.99 8.06 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 117.644 0.722 . . . . 0.0 112.748 -173.173 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.515 HG13 ' HG3' ' A' ' 42' ' ' LYS . 35.6 m -127.76 166.19 25.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 CA-C-O 121.011 0.434 . . . . 0.0 111.186 -175.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.505 HD13 ' OE1' ' A' ' 33' ' ' GLN . 51.1 tp -133.84 128.55 34.91 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.0 p -103.89 118.49 36.81 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.439 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 50' ' ' ASP . 33.3 pt -119.79 170.38 9.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.481 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -102.71 179.31 4.32 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.5 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -68.58 -23.83 64.53 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.32 177.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.481 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 5.3 p-10 -71.72 -27.15 62.81 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 44.8 m-20 -76.44 -44.43 35.81 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 tp -56.15 -47.3 78.46 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.379 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -59.53 -38.31 80.68 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 121.226 0.536 . . . . 0.0 110.101 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.508 ' O ' HG13 ' A' ' 57' ' ' ILE . 87.3 m -67.46 -34.18 76.65 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.874 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 99.1 mt -59.12 -42.75 91.31 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.071 0.462 . . . . 0.0 109.912 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.34 -32.51 73.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.56 -43.01 41.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.457 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 53' ' ' THR . 38.9 mt -71.9 -42.66 69.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.703 -176.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -90.46 -0.7 57.76 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.885 -175.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 48.02 68.3 0.69 Allowed 'General case' 0 C--O 1.244 0.799 0 C-N-CA 125.926 1.69 . . . . 0.0 112.804 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -138.54 144.42 39.91 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 m -63.12 137.45 97.07 Favored Pre-proline 0 C--N 1.288 -2.099 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -45.42 -40.01 17.14 Favored 'Trans proline' 0 N--CA 1.486 1.051 0 C-N-CA 123.93 3.087 . . . . 0.0 114.565 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -61.64 -57.07 13.46 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.228 0.211 . . . . 0.0 110.795 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 14.6 p -66.95 -30.05 48.31 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.136 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.35 -50.19 74.52 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 m -63.32 -40.55 97.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.964 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -59.7 -44.44 93.67 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.211 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 15.1 mm-40 -55.92 -55.34 33.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.031 0.532 . . . . 0.0 110.537 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.54 -41.52 76.95 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.374 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.2 mt -68.09 -40.55 83.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.69 177.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.9 m -66.07 -31.74 72.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.537 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.426 ' HB2' HG23 ' A' ' 74' ' ' VAL . 26.9 m0 -79.44 -16.69 55.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.02 0.438 . . . . 0.0 110.112 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.14 23.23 61.65 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' A' ' 72' ' ' TRP . 57.2 t -93.24 -24.08 5.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.52 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.8 tp -124.79 155.61 39.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.001 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.21 150.13 47.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.6 -44.67 64.02 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -59.17 -19.63 46.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.196 1.399 . . . . 0.0 112.604 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.53 -25.03 15.12 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.891 0.877 . . . . 0.0 111.514 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -56.7 -20.88 24.07 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 123.794 0.838 . . . . 0.0 111.813 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 22.2 tpt180 . . . . . 0 C--O 1.243 0.711 0 O-C-N 122.219 -0.301 . . . . 0.0 111.09 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp . . . . . 0 N--CA 1.436 -1.14 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.1 mt -96.05 107.4 19.7 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.08 113.69 26.06 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 CA-C-O 121.476 0.655 . . . . 0.0 111.306 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 tp -94.98 111.56 23.34 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.15 114.65 17.23 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.9 mt -72.27 -37.76 68.98 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 123.249 0.62 . . . . 0.0 111.386 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -75.63 -42.58 51.2 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.185 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 17' ' ' VAL . 22.3 tpt180 -64.69 -40.2 94.96 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.539 HD21 ' HG ' ' A' ' 25' ' ' LEU . 52.8 tp -63.38 -30.63 71.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.071 0.462 . . . . 0.0 110.548 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.91 -19.25 61.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.6 p -95.21 -0.85 52.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.162 0.506 . . . . 0.0 110.827 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 13' ' ' ARG . 92.9 t -89.16 133.43 35.15 Favored Pre-proline 0 C--O 1.244 0.79 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -41.71 130.43 3.96 Favored 'Trans proline' 0 C--O 1.253 1.245 0 C-N-CA 124.174 3.25 . . . . 0.0 114.053 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -17.97 64.07 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.037 0.935 . . . . 0.0 110.74 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -55.5 -34.24 64.43 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 124.407 1.083 . . . . 0.0 110.754 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -122.46 -33.91 3.36 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.988 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.25 -5.75 59.12 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -177.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.01 -62.55 6.16 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 119.766 -0.463 . . . . 0.0 113.808 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -61.89 -24.7 77.38 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 122.336 2.024 . . . . 0.0 112.012 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.539 ' HG ' HD21 ' A' ' 14' ' ' LEU . 29.3 tp -78.14 -35.56 48.85 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.725 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -62.4 -34.17 76.21 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 110.117 173.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -67.12 -48.83 66.93 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.769 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.495 ' CE1' HD11 ' A' ' 32' ' ' ILE . 45.6 t80 -57.87 -49.11 77.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.497 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.98 91.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.354 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.67 96.22 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.48 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.8 m -61.33 -39.28 89.97 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 123.58 0.55 . . . . 0.0 110.786 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.495 HD11 ' CE1' ' A' ' 28' ' ' TYR . 59.5 mt -66.51 -49.1 77.94 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.194 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -57.78 -33.88 68.99 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 p -70.86 -48.19 55.21 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.51 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -76.47 -18.21 58.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 111.584 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -75.33 -27.28 59.18 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.46 -50.78 2.88 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.407 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.76 101.92 1.8 Allowed 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 123.878 0.871 . . . . 0.0 110.712 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -103.03 89.73 3.53 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.551 0.691 . . . . 0.0 109.754 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -82.23 -34.39 28.89 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.32 -23.54 26.9 Favored Glycine 0 N--CA 1.441 -1.031 0 CA-C-N 115.456 -0.793 . . . . 0.0 114.097 173.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HG3' HG13 ' A' ' 43' ' ' VAL . 27.9 tptp -92.17 -63.87 1.18 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 117.11 0.455 . . . . 0.0 112.034 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.448 HG13 ' HG3' ' A' ' 42' ' ' LYS . 27.2 m -122.94 145.7 29.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.3 tp -127.58 113.97 16.8 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 176.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.2 m -87.79 107.02 18.46 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.37 0.605 . . . . 0.0 111.019 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 pt -101.57 174.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -111.8 177.31 4.69 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 121.174 -0.21 . . . . 0.0 110.762 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -64.48 -31.53 72.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 121.096 0.474 . . . . 0.0 110.568 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.3 -40.18 81.3 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.978 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -73.13 -43.2 61.98 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.399 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.5 tp -55.7 -43.7 76.69 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.44 0.638 . . . . 0.0 109.553 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.408 ' O ' HG23 ' A' ' 56' ' ' VAL . 18.9 tpt180 -61.54 -39.05 89.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.247 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.566 ' O ' HG13 ' A' ' 57' ' ' ILE . 28.5 m -63.79 -49.03 74.5 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.671 0.607 . . . . 0.0 109.569 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mp -52.64 -47.26 67.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.337 0.655 . . . . 0.0 111.157 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.98 -42.11 72.02 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.668 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 52' ' ' ARG . 63.0 t -72.88 -41.03 60.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.955 0.407 . . . . 0.0 110.144 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 53' ' ' THR . 47.6 mt -63.1 -50.84 77.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.745 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -86.83 1.53 52.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.716 -172.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 t70 59.66 58.34 2.91 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 122.334 1.064 . . . . 0.0 110.84 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -139.99 143.46 36.49 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.153 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 m -64.28 141.89 98.22 Favored Pre-proline 0 C--N 1.299 -1.592 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -43.48 -47.53 9.19 Favored 'Trans proline' 0 C--N 1.365 1.425 0 C-N-CA 124.134 3.223 . . . . 0.0 114.235 -176.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.495 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 21.3 m -65.85 -44.45 85.44 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.989 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.88 -41.16 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.373 0.606 . . . . 0.0 109.829 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.75 -40.67 97.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.075 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 57.1 m -64.27 -42.46 96.44 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.29 -0.413 . . . . 0.0 109.975 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 63' ' ' SER . 48.2 mt-10 -59.86 -38.15 81.32 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.63 -56.29 23.85 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 123.485 0.714 . . . . 0.0 111.217 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.43 -36.55 76.1 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.352 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 76.4 mt -71.93 -34.79 52.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.4 t -68.05 -32.44 72.8 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 122.911 0.484 . . . . 0.0 110.497 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 14.7 m0 -87.29 -7.37 57.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.164 0.507 . . . . 0.0 110.05 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.68 27.68 68.75 Favored Glycine 0 CA--C 1.503 -0.699 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.218 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.6 t -93.58 -29.86 4.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.5 tp -111.57 155.51 23.21 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.437 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.49 140.01 57.04 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 123.673 0.789 . . . . 0.0 110.475 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.57 -33.4 74.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -77.71 -23.36 49.45 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 120.851 0.358 . . . . 0.0 111.264 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -25.47 23.18 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -14.77 62.35 Favored 'General case' 0 C--O 1.212 -0.893 0 C-N-CA 118.884 -1.126 . . . . 0.0 111.398 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 . . . . . 0 CA--C 1.514 -0.428 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.931 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt . . . . . 0 N--CA 1.43 -1.475 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.4 mt -99.69 118.81 37.0 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.63 113.08 25.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 CA-C-O 121.213 0.53 . . . . 0.0 110.196 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.6 tp -93.64 106.5 18.46 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 12.1 t70 -77.34 111.9 13.49 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.3 mt -77.22 -26.36 52.61 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 120.901 0.382 . . . . 0.0 111.041 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.64 -47.42 66.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.561 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 17' ' ' VAL . 25.9 mmt180 -70.86 -31.17 67.77 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 176.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 1.5 tm? -64.42 -34.31 77.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -68.8 -22.77 64.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.648 176.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -88.64 -3.76 58.71 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-O 121.659 0.742 . . . . 0.0 109.833 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 13' ' ' ARG . 73.6 t -92.36 133.3 30.11 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -39.73 125.32 1.5 Allowed 'Trans proline' 0 C--O 1.254 1.293 0 C-N-CA 124.145 3.23 . . . . 0.0 113.838 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.17 -18.02 59.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.665 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -52.8 -36.11 57.86 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.729 0.811 . . . . 0.0 110.309 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -119.64 -25.53 5.93 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.573 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.66 -4.14 25.56 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -175.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.13 -62.25 6.41 Favored Glycine 0 N--CA 1.468 0.81 0 CA-C-O 119.842 -0.421 . . . . 0.0 112.76 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -58.59 -28.95 87.62 Favored 'Trans proline' 0 C--N 1.363 1.335 0 C-N-CA 122.796 2.331 . . . . 0.0 111.628 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.455 HD23 HD21 ' A' ' 14' ' ' LEU . 22.9 tp -66.16 -40.48 90.55 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.28 -178.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 15' ' ' ALA . 73.2 mt-30 -62.46 -36.5 82.67 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.134 174.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -73.13 -40.85 64.57 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.496 ' CD2' HD21 ' A' ' 54' ' ' LEU . 83.2 t80 -57.05 -49.89 74.44 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 174.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -56.24 -46.01 79.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.272 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.02 -38.64 89.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.186 0.517 . . . . 0.0 111.142 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.5 m -69.21 -43.1 74.78 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.443 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 28' ' ' TYR . 34.3 mm -58.89 -38.76 75.05 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 C-N-CA 123.477 0.711 . . . . 0.0 110.984 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 99.3 mt-30 -56.68 -49.77 74.11 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.872 177.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.7 m -66.15 -34.12 77.31 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.009 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -66.47 -35.84 81.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 mpt_? -82.97 -27.22 30.64 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.382 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.67 2.01 87.56 Favored Glycine 0 N--CA 1.467 0.718 0 CA-C-O 122.039 0.799 . . . . 0.0 111.138 -177.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -130.57 121.42 25.64 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -138.78 167.4 22.08 Favored 'General case' 0 N--CA 1.417 -2.098 0 C-N-CA 119.289 -0.964 . . . . 0.0 111.392 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -151.41 127.16 10.23 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.54 -2.93 90.05 Favored Glycine 0 C--N 1.298 -1.551 0 C-N-CA 120.136 -1.03 . . . . 0.0 113.327 -174.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -100.16 -48.09 4.74 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.784 0.326 . . . . 0.0 110.578 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.7 157.12 38.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.393 . . . . 0.0 110.975 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 tp -134.06 118.99 18.39 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 m -92.02 102.33 14.88 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.529 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.9 pt -101.59 168.76 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -112.48 177.06 4.76 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.741 177.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -64.03 -36.87 85.4 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 123.445 0.698 . . . . 0.0 110.072 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -65.61 -26.56 67.89 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.859 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -87.38 -39.61 15.14 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 tp -55.1 -33.53 62.89 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.451 1.1 . . . . 0.0 110.337 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 56' ' ' VAL . 67.6 mtp180 -60.6 -28.11 68.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.642 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.519 ' O ' HG13 ' A' ' 57' ' ' ILE . 20.5 m -67.97 -39.42 83.34 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.496 HD21 ' CD2' ' A' ' 28' ' ' TYR . 92.4 mt -61.83 -37.43 84.42 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.595 178.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.74 87.05 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.224 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 52' ' ' ARG . 43.9 t -72.26 -33.24 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.941 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 53' ' ' THR . 29.2 mt -69.31 -48.26 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.586 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -88.03 -1.76 58.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.385 -173.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 67.96 28.07 6.96 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.818 1.247 . . . . 0.0 110.529 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -114.06 165.25 12.82 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.113 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.3 t -90.79 144.58 30.52 Favored Pre-proline 0 C--N 1.305 -1.346 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -46.72 -29.84 8.36 Favored 'Trans proline' 0 C--N 1.366 1.478 0 C-N-CA 124.257 3.304 . . . . 0.0 114.175 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.463 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 4.8 p -60.15 -57.39 13.01 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 122.46 0.304 . . . . 0.0 111.15 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 13.9 p -75.21 -26.06 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.272 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -44.29 96.79 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 m -64.83 -39.02 92.91 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.051 0.453 . . . . 0.0 109.84 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 63' ' ' SER . 50.3 mt-10 -61.99 -35.81 79.63 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.456 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 30.2 mm-40 -51.78 -61.06 2.49 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.766 0.827 . . . . 0.0 110.924 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.24 -35.76 74.25 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.905 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.4 mt -67.75 -49.22 71.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.218 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.4 p -64.69 -32.15 73.69 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -76.86 -16.81 59.31 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.233 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.54 34.35 11.98 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.605 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -108.71 -39.34 4.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -113.3 151.92 30.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.634 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -77.72 148.34 34.95 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.32 80.38 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 123.599 0.76 . . . . 0.0 112.788 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.7 -23.33 66.05 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -175.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -24.79 39.33 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.474 0.709 . . . . 0.0 111.749 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -53.48 -25.17 15.28 Favored 'General case' 0 C--O 1.209 -1.029 0 C-N-CA 124.041 0.937 . . . . 0.0 111.352 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 125.224 1.41 . . . . 0.0 111.167 -178.667 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttp . . . . . 0 CA--C 1.499 -1.003 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 2.5 mp0 -99.27 141.53 23.02 Favored Pre-proline 0 C--N 1.3 -1.576 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -176.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 2' ' ' GLU . 3.0 Cg_exo -74.68 111.99 3.45 Favored 'Trans proline' 0 C--O 1.248 1.005 0 C-N-CA 122.28 1.987 . . . . 0.0 111.923 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.25 133.95 25.82 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.418 2.079 . . . . 0.0 109.931 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.69 143.88 94.18 Favored 'Trans proline' 0 C--O 1.25 1.101 0 C-N-CA 122.76 2.307 . . . . 0.0 113.478 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -90.2 152.39 21.11 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 172.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -87.15 106.9 18.2 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -99.37 114.97 39.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.14 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -102.38 129.32 48.81 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.217 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -83.44 115.53 22.1 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.7 mt -76.77 -29.71 56.21 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.463 -175.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -77.38 -32.43 54.9 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.909 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -64.23 -40.91 97.01 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.6 tp -64.3 -30.61 71.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.68 -23.1 63.4 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.017 0.437 . . . . 0.0 110.991 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.0 m -89.84 -5.36 56.94 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 121.906 0.86 . . . . 0.0 109.993 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.8 t -89.46 135.42 31.03 Favored Pre-proline 0 C--N 1.316 -0.877 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . 12.4 Cg_endo -54.28 141.64 70.38 Favored 'Trans proline' 0 C--O 1.262 1.707 0 C-N-CA 123.069 2.513 . . . . 0.0 113.333 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.7 -20.33 33.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.296 1.438 . . . . 0.0 113.891 -173.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.445 ' HG2' ' HB2' ' A' ' 18' ' ' PRO . 7.7 pt-20 -50.54 -41.42 53.89 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.623 0.769 . . . . 0.0 111.585 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 33.6 mtmm -122.8 -24.51 4.82 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.017 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -76.28 -38.49 56.09 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.434 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.3 -60.17 4.79 Favored Glycine 0 N--CA 1.473 1.104 0 O-C-N 124.095 0.872 . . . . 0.0 114.309 -175.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -52.61 -39.02 76.7 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 122.889 2.393 . . . . 0.0 112.96 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp -75.78 -38.56 58.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.871 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 93.1 mt-30 -60.99 -33.16 72.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.364 0.602 . . . . 0.0 109.406 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 4.2 mmp_? -74.95 -47.14 31.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.783 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.83 -54.9 27.69 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.538 0.735 . . . . 0.0 110.067 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.92 93.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.612 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.19 86.47 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.203 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.1 m -71.94 -42.08 67.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.719 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 48.7 mm -64.6 -48.17 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . 13.8 mm100 -62.31 -46.0 90.68 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 p -65.1 -34.05 77.49 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.479 -0.488 . . . . 0.0 112.063 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -81.15 -22.32 39.09 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.643 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 28.3 mmt180 -84.87 -27.83 26.43 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.259 177.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.84 -48.0 0.99 Allowed Glycine 0 C--N 1.314 -0.685 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.447 ' HB2' ' HB3' ' A' ' 33' ' ' GLN . 23.1 t70 80.14 124.06 0.04 OUTLIER 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 125.61 1.564 . . . . 0.0 114.795 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -147.47 23.43 1.14 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 171.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.642 ' HB3' ' O ' ' A' ' 43' ' ' VAL . 17.0 m120 -104.27 -52.39 2.93 Favored 'General case' 0 CA--C 1.495 -1.161 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.154 -176.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.52 -71.9 0.02 OUTLIER Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.217 0.948 . . . . 0.0 115.423 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -83.05 -39.25 21.46 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 123.312 0.645 . . . . 0.0 111.575 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.642 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 16.5 m -130.37 131.4 65.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -173.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.3 tp -107.89 132.87 53.01 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.3 t -110.98 122.8 48.81 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.8 pt -119.95 179.35 2.09 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -94.11 166.7 12.0 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.99 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -69.44 -40.89 76.94 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 122.022 0.915 . . . . 0.0 108.649 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.49 -30.17 61.72 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.098 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.46 -22.88 61.01 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.138 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.1 tp -64.83 -28.98 69.93 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.363 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -65.8 -21.93 66.53 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.732 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.447 ' O ' HG13 ' A' ' 57' ' ' ILE . 11.4 m -63.49 -42.21 98.54 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.465 HD22 ' OH ' ' A' ' 58' ' ' TYR . 96.1 mt -67.12 -33.06 74.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.047 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.01 74.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.554 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.0 t -73.19 -42.66 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.461 HD12 HD23 ' A' ' 54' ' ' LEU . 44.6 mt -60.99 -45.93 97.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.73 -177.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.465 ' OH ' HD22 ' A' ' 54' ' ' LEU . 3.3 m-85 -89.47 -11.69 42.26 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.129 -0.629 . . . . 0.0 110.232 -175.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 64.8 59.1 0.92 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-O 122.979 1.371 . . . . 0.0 109.709 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -129.49 154.05 47.37 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 113.875 -1.511 . . . . 0.0 108.482 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.0 m -75.12 137.72 72.35 Favored Pre-proline 0 C--N 1.3 -1.55 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -46.68 -43.06 23.74 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 123.724 2.949 . . . . 0.0 113.428 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 m -57.22 -54.05 51.22 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.654 0.782 . . . . 0.0 110.943 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 55.7 t -67.85 -38.26 79.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.542 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.95 -44.83 94.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.351 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.2 m -61.98 -43.53 98.65 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.122 0.487 . . . . 0.0 109.706 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -64.43 -31.76 73.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.519 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 9.9 mm-40 -58.34 -55.97 28.09 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 123.466 0.479 . . . . 0.0 111.112 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.67 -37.82 76.83 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.298 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 93.9 mt -68.22 -42.13 84.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.531 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -64.59 -42.69 95.41 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 123.122 0.569 . . . . 0.0 110.652 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -73.62 -15.62 61.26 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.997 0.427 . . . . 0.0 110.79 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.79 20.76 60.79 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -88.84 -23.43 6.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 58.6 tp -135.51 154.89 51.24 Favored 'General case' 0 N--CA 1.436 -1.175 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.07 151.37 19.25 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 123.486 0.491 . . . . 0.0 110.972 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.35 -12.88 60.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.336 1.065 . . . . 0.0 110.329 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.8 -22.39 66.59 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 114.656 -1.157 . . . . 0.0 110.912 174.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.5 -24.1 61.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.807 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -55.44 -30.97 61.49 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.615 0.766 . . . . 0.0 112.385 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -66.9 -16.07 64.07 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.409 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.85 -31.74 16.33 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.936 0.398 . . . . 0.0 109.959 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.1 -40.79 78.75 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.324 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.82 119.92 19.66 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.5 t -81.6 -33.33 31.59 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 121.145 0.498 . . . . 0.0 109.852 -177.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -156.2 138.27 14.55 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -80.6 139.94 36.0 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 65.6 -109.54 0.17 Allowed 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.196 0.998 . . . . 0.0 110.032 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.9 mt . . . . . 0 C--O 1.251 1.168 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.8 mmm . . . . . 0 CA--C 1.504 -0.818 0 CA-C-O 121.236 0.541 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.12 137.41 30.56 Favored Pre-proline 0 C--N 1.295 -1.789 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -66.09 132.16 29.12 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 121.983 1.789 . . . . 0.0 110.557 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 31.8 Cg_endo -66.31 150.36 84.65 Favored 'Trans proline' 0 C--O 1.251 1.161 0 C-N-CA 121.952 1.768 . . . . 0.0 110.139 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 32.5 Cg_exo -58.41 114.65 2.07 Favored 'Trans proline' 0 C--O 1.249 1.069 0 C-N-CA 122.628 2.219 . . . . 0.0 111.884 -178.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -100.05 125.3 46.1 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -85.79 112.98 21.6 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.754 -173.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.8 t -95.15 112.38 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.582 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tt -106.89 111.53 24.08 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.424 ' O ' HG13 ' A' ' 74' ' ' VAL . 10.4 t70 -72.82 108.89 6.02 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.281 -176.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.4 mt -77.19 -21.52 53.81 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -174.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -82.47 -39.57 22.33 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.938 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 17' ' ' VAL . 26.2 tpt180 -66.02 -31.98 73.19 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 173.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.59 -31.25 71.3 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.752 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -70.75 -31.76 68.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.19 0.519 . . . . 0.0 110.821 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 p -86.69 6.67 30.08 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 13' ' ' ARG . 89.0 t -95.44 130.4 32.24 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -43.72 142.61 3.27 Favored 'Trans proline' 0 C--O 1.255 1.326 0 C-N-CA 124.204 3.269 . . . . 0.0 114.458 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.17 67.36 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.835 1.254 . . . . 0.0 111.286 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -54.18 -40.01 67.15 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.558 0.743 . . . . 0.0 110.125 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -102.34 -51.1 3.43 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.037 -174.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -94.73 1.89 55.5 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -172.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.33 -69.89 0.81 Allowed Glycine 0 N--CA 1.475 1.253 0 N-CA-C 115.044 0.778 . . . . 0.0 115.044 -175.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -68.81 -19.99 40.2 Favored 'Trans proline' 0 C--O 1.241 0.632 0 C-N-CA 122.616 2.21 . . . . 0.0 111.875 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.2 tp -73.55 -38.78 65.12 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.812 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 95.2 mt-30 -63.47 -35.23 79.76 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.6 0.714 . . . . 0.0 109.191 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -68.63 -41.45 79.43 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.256 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.451 ' O ' HG12 ' A' ' 32' ' ' ILE . 73.8 t80 -64.8 -38.85 92.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.06 88.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.387 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.09 97.37 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 110.315 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.8 m -61.3 -36.74 80.91 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.325 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 28' ' ' TYR . 47.2 mm -66.3 -45.23 90.25 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.71 -41.65 86.86 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.39 0.431 . . . . 0.0 111.52 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 m -64.91 -31.01 72.04 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.465 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -79.53 -32.52 42.29 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.253 -0.28 . . . . 0.0 110.977 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -72.55 -27.53 62.27 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 120.482 0.182 . . . . 0.0 111.033 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.99 35.85 92.65 Favored Glycine 0 C--O 1.243 0.699 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -145.26 153.29 41.15 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -96.01 0.64 51.92 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 118.982 -1.087 . . . . 0.0 113.643 -175.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -71.71 93.29 1.26 Allowed 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.788 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.83 41.01 1.78 Allowed Glycine 0 CA--C 1.472 -2.624 0 N-CA-C 110.194 -1.163 . . . . 0.0 110.194 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -90.51 -37.76 13.67 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.9 m -141.12 153.71 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.288 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.5 tp -124.09 136.1 54.0 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 p -104.15 119.92 40.0 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 123.444 0.465 . . . . 0.0 110.527 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.428 ' HB ' ' HB2' ' A' ' 50' ' ' ASP . 20.9 pt -140.63 171.35 13.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 C-N-CA 122.796 0.438 . . . . 0.0 110.095 178.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -109.93 171.47 7.43 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -62.86 -30.32 71.42 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.868 0.842 . . . . 0.0 109.558 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.0 -31.69 72.73 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.514 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 27.0 m-20 -85.06 -43.14 14.18 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' HA ' HD13 ' A' ' 54' ' ' LEU . 47.6 tp -56.12 -32.16 63.97 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.59 1.156 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 56' ' ' VAL . 79.0 ttt180 -52.6 -42.16 64.32 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.018 0.927 . . . . 0.0 111.043 177.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.508 ' O ' HG13 ' A' ' 57' ' ' ILE . 38.4 m -59.88 -42.05 92.88 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 122.946 0.498 . . . . 0.0 110.763 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 51' ' ' LEU . 6.5 mp -64.29 -43.78 93.7 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -177.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.37 82.46 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.326 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 52' ' ' ARG . 89.8 t -65.6 -35.59 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.754 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 53' ' ' THR . 38.8 mt -65.08 -29.84 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.714 0.768 . . . . 0.0 110.53 -178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -102.5 5.83 39.66 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.838 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.2 t70 60.74 34.17 19.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.701 1.201 . . . . 0.0 110.25 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 60' ' ' GLN . 16.7 mt-30 -113.34 164.47 13.53 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.069 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.6 t -84.79 141.87 38.77 Favored Pre-proline 0 N--CA 1.434 -1.255 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.75 -36.42 82.08 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.253 2.635 . . . . 0.0 112.884 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.0 p -63.22 -52.21 63.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.269 0.556 . . . . 0.0 110.627 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.99 -43.0 97.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.245 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.2 tm? -58.8 -47.93 83.05 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.191 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.419 ' O ' HG13 ' A' ' 70' ' ' ILE . 96.2 m -57.77 -49.44 76.6 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 123.197 0.599 . . . . 0.0 111.271 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.3 -34.62 75.52 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -64.09 -54.74 29.28 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.504 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 4.4 mm? -56.77 -38.3 72.3 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.32 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 66' ' ' THR . 72.0 mt -66.69 -42.27 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-O 120.941 0.401 . . . . 0.0 110.097 177.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.1 m -64.89 -28.51 69.59 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.402 ' HB2' HG23 ' A' ' 74' ' ' VAL . 13.0 m0 -86.66 -5.5 59.11 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.192 0.52 . . . . 0.0 110.242 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.23 21.0 65.91 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 10' ' ' ASP . 96.8 t -91.79 -45.49 14.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 121.093 0.473 . . . . 0.0 110.279 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.433 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 64.5 tp -104.35 143.96 32.27 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.916 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.15 139.95 58.45 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.02 -19.46 65.7 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 23.4 t70 -59.46 -19.94 51.47 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.028 0.931 . . . . 0.0 111.635 -178.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.9 -27.88 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.507 1.123 . . . . 0.0 112.086 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -56.85 -32.5 65.87 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.647 0.779 . . . . 0.0 112.512 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 78' ' ' ASP . 14.1 ptp180 -83.09 -16.94 44.93 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 119.543 -0.863 . . . . 0.0 110.711 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.05 55.78 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 121.569 0.699 . . . . 0.0 109.339 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.1 t -80.91 2.14 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 CA-C-O 122.615 1.198 . . . . 0.0 109.016 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -110.95 -58.25 2.13 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.627 175.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.6 m -92.96 95.95 9.8 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-O 121.444 0.64 . . . . 0.0 109.626 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -92.69 -41.6 10.07 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.289 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -83.33 142.77 30.82 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.295 -174.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 89' ' ' LEU . 42.1 tt0 -169.51 165.47 10.37 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 177.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.406 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 2.5 mm? . . . . . 0 C--N 1.302 -1.487 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 CA--C 1.506 -0.748 0 CA-C-O 121.156 0.503 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.5 169.77 8.64 Favored Pre-proline 0 C--N 1.285 -2.234 0 CA-C-O 118.141 -0.933 . . . . 0.0 108.819 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -45.67 118.56 2.28 Favored 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 122.875 2.383 . . . . 0.0 112.016 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -48.18 125.23 11.54 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 124.037 3.158 . . . . 0.0 113.513 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.23 114.93 2.16 Favored 'Trans proline' 0 C--O 1.244 0.824 0 C-N-CA 122.699 2.266 . . . . 0.0 109.528 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -79.03 130.17 35.23 Favored 'General case' 0 N--CA 1.416 -2.145 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.75 -177.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.97 104.29 9.51 Favored 'General case' 0 N--CA 1.41 -2.441 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -88.92 112.26 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.38 123.92 39.15 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -77.04 112.92 14.2 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.27 -26.34 64.72 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -68.49 -47.85 65.95 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.327 0.584 . . . . 0.0 109.972 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -63.31 -40.13 96.5 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.045 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 tp -61.79 -40.8 96.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.266 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.47 -16.35 61.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.103 0.477 . . . . 0.0 111.271 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.4 m -80.7 -26.71 37.33 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.377 0.608 . . . . 0.0 109.607 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.7 t -78.08 134.47 63.66 Favored Pre-proline 0 C--N 1.313 -0.979 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.59 152.33 27.69 Favored 'Trans proline' 0 C--O 1.25 1.1 0 C-N-CA 123.475 2.783 . . . . 0.0 113.304 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.37 -28.32 69.15 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.384 0.673 . . . . 0.0 111.681 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.57 -31.42 56.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.348 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 8.1 mmpt? -108.55 -54.11 2.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.086 0.47 . . . . 0.0 111.045 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.02 -9.54 45.54 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -172.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -57.89 -56.8 23.18 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 119.749 -0.473 . . . . 0.0 113.572 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.27 -22.53 46.21 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 121.984 1.789 . . . . 0.0 111.501 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.587 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -73.91 -46.62 43.24 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 178.796 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.48 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 78.4 mt-30 -63.92 -26.58 68.66 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 21.6 mtm180 -62.82 -50.83 69.41 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.485 ' CD1' HD21 ' A' ' 54' ' ' LEU . 39.8 t80 -63.25 -43.88 96.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.068 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' A' ' 26' ' ' GLN . . . -56.63 -47.26 80.09 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.41 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.15 85.53 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.562 0.539 . . . . 0.0 110.252 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.2 m -63.36 -44.93 93.39 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.695 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.4 mm -69.07 -40.08 80.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.956 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 78.4 mt-30 -57.64 -49.25 77.06 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.129 0.49 . . . . 0.0 110.089 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.8 t -66.81 -49.26 66.38 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.104 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -86.28 -43.46 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -172.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -110.37 -28.6 8.5 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 118.601 -1.239 . . . . 0.0 112.857 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.89 -10.81 82.5 Favored Glycine 0 CA--C 1.494 -1.266 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 t70 49.0 64.25 1.8 Allowed 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 125.874 1.669 . . . . 0.0 111.851 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 58.34 87.72 0.07 Allowed 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.678 1.591 . . . . 0.0 114.283 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -157.12 122.62 4.66 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.39 28.85 8.32 Favored Glycine 0 N--CA 1.436 -1.348 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.192 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -100.16 -56.36 2.38 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.513 0.673 . . . . 0.0 110.031 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.2 m -137.31 154.96 31.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.795 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.5 tp -128.65 131.27 48.04 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -111.67 113.23 25.48 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 120.881 0.372 . . . . 0.0 110.427 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.9 pt -123.66 172.1 11.6 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -97.9 171.98 7.94 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.65 -24.07 62.63 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 173.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -62.74 -39.46 94.17 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.639 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -70.72 -39.63 73.29 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 54' ' ' LEU . 8.9 tt -66.03 -32.02 73.24 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.62 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.444 ' O ' HG23 ' A' ' 56' ' ' VAL . 46.7 ttm105 -59.86 -40.66 89.36 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.458 ' O ' HG13 ' A' ' 57' ' ' ILE . 48.3 m -70.33 -38.34 74.88 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.906 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.485 HD21 ' CD1' ' A' ' 28' ' ' TYR . 76.8 mt -55.17 -49.66 71.31 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.69 -31.22 66.15 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.657 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 52' ' ' ARG . 61.7 t -73.32 -38.61 54.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 53' ' ' THR . 34.7 mt -63.07 -47.86 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 121.185 0.516 . . . . 0.0 110.577 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.587 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 4.5 m-85 -88.03 -3.29 58.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.119 -175.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 t70 58.29 61.07 2.4 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.82 1.248 . . . . 0.0 109.6 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -134.89 165.28 25.66 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.496 -1.229 . . . . 0.0 109.692 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.0 t -76.75 131.62 73.39 Favored Pre-proline 0 N--CA 1.429 -1.513 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.43 -36.53 88.08 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 123.008 2.472 . . . . 0.0 111.812 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.6 m -62.64 -50.07 72.68 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.186 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 49.1 t -69.22 -36.67 73.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.923 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.02 -50.86 71.64 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.999 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.9 m -60.12 -42.88 95.71 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.445 0.64 . . . . 0.0 109.296 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.28 -42.66 99.02 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.153 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 64' ' ' VAL . 26.6 mt-30 -61.77 -51.4 68.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 122.467 0.307 . . . . 0.0 111.203 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.16 -39.67 72.69 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 120.758 0.313 . . . . 0.0 111.74 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.88 -47.15 83.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.319 176.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 m -65.47 -31.89 73.2 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -73.33 -16.8 61.35 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 110.649 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.9 18.95 49.35 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.113 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.99 -44.8 14.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.8 tp -104.99 151.41 23.95 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.28 147.67 34.21 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -59.56 -51.67 68.86 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -176.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.9 -21.53 30.41 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.22 -24.56 66.43 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.099 0.56 . . . . 0.0 111.61 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 8.3 ptm180 -55.1 -32.11 61.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.448 0.699 . . . . 0.0 111.975 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 66.6 mtp180 -78.37 -14.94 59.18 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.91 -176.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.35 -14.02 57.7 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.4 t -100.02 -47.2 11.94 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.823 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 81' ' ' ARG . . . -145.2 121.61 10.97 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.237 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.7 t -116.63 177.55 4.66 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 67.41 85.83 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.61 1.164 . . . . 0.0 112.037 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -92.18 173.98 7.54 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.892 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.88 9.65 39.87 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.641 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.253 1.241 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.577 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.508 ' O ' ' HD3' ' A' ' 3' ' ' PRO . 27.1 ptm . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 111.595 0.221 . . . . 0.0 111.595 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -84.37 113.03 46.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 118.964 -0.541 . . . . 0.0 110.75 -175.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 1' ' ' MET . 22.4 Cg_exo -61.51 -51.1 4.54 Favored 'Trans proline' 0 CA--C 1.561 1.863 0 C-N-CA 120.988 1.126 . . . . 0.0 109.774 169.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 3' ' ' PRO . 1.2 Cg_endo -92.36 103.56 0.2 Allowed 'Trans proline' 0 C--N 1.396 3.038 0 C-N-CA 121.884 1.723 . . . . 0.0 107.884 167.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 3' ' ' PRO . 24.1 Cg_exo -61.79 133.63 46.0 Favored 'Trans proline' 0 CA--C 1.507 -0.864 0 C-N-CA 122.982 2.455 . . . . 0.0 113.281 -174.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -84.06 104.19 13.91 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 175.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 45' ' ' SER . 69.6 mt -80.45 109.93 15.42 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -175.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.9 114.03 41.33 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.451 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.11 126.62 49.11 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -79.25 110.15 14.26 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 175.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.24 -33.73 75.95 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.598 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -69.99 -31.27 68.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.6 0.714 . . . . 0.0 110.271 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -75.65 -35.19 60.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.94 -29.53 70.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.486 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.3 0.3 14.72 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.27 0.628 . . . . 0.0 111.513 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -107.13 4.04 26.4 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 122.506 1.146 . . . . 0.0 109.096 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.9 t -106.04 126.41 30.69 Favored Pre-proline 0 N--CA 1.439 -0.985 0 N-CA-C 108.066 -1.086 . . . . 0.0 108.066 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.608 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 36.9 Cg_endo -63.22 158.44 44.37 Favored 'Trans proline' 0 C--O 1.256 1.422 0 C-N-CA 123.068 2.512 . . . . 0.0 113.757 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.23 -27.35 67.13 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -173.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.608 ' OE1' ' HB2' ' A' ' 18' ' ' PRO . 2.9 pm0 -62.44 -22.99 66.63 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -116.95 -41.93 2.99 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.751 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -103.29 -0.65 29.99 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -175.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.0 -65.38 2.72 Favored Glycine 0 N--CA 1.483 1.768 0 N-CA-C 115.062 0.785 . . . . 0.0 115.062 -174.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.412 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 24.5 Cg_exo -64.16 -28.74 64.9 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.09 1.86 . . . . 0.0 111.679 -179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.75 -42.65 73.63 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.841 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 96.8 mt-30 -64.75 -40.86 96.0 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.0 mtm105 -64.46 -44.47 90.99 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.351 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.416 ' O ' HG12 ' A' ' 32' ' ' ILE . 54.9 t80 -61.39 -43.96 97.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.39 88.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.328 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.33 73.93 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.914 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 72.4 m -66.16 -44.13 84.98 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.011 177.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 28' ' ' TYR . 48.3 mm -61.74 -41.91 92.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.268 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -56.64 -56.24 23.85 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.9 p -68.16 -36.36 79.52 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 31' ' ' THR . 85.7 mm-40 -67.87 -42.07 81.85 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.897 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -73.49 -26.32 60.85 Favored 'General case' 0 N--CA 1.424 -1.771 0 CA-C-O 121.077 0.465 . . . . 0.0 110.372 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.88 32.0 13.83 Favored Glycine 0 CA--C 1.49 -1.469 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -119.45 153.51 35.16 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 114.919 -0.641 . . . . 0.0 109.971 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -124.86 16.76 8.64 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -73.09 100.4 3.02 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.38 30.99 9.05 Favored Glycine 0 C--N 1.294 -1.802 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -96.91 -59.02 1.89 Allowed 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.8 m -138.92 157.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.081 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.1 tp -135.47 134.03 39.14 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 23.0 t -119.88 116.33 25.61 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.205 0.526 . . . . 0.0 109.669 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 pp -113.86 170.45 4.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.206 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.91 177.17 4.97 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.987 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 88.5 mm-40 -69.41 -28.01 65.79 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.913 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -67.53 -36.61 81.35 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.164 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' O ' HD13 ' A' ' 54' ' ' LEU . 6.7 m-20 -70.35 -42.0 72.44 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 tp -53.59 -43.45 68.59 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.072 0.463 . . . . 0.0 110.365 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 48' ' ' GLN . 28.1 mmm180 -64.93 -24.21 67.46 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.393 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 57' ' ' ILE . 32.0 m -87.4 -52.73 5.2 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 50' ' ' ASP . 10.8 mp -52.49 -46.41 66.58 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 124.232 1.013 . . . . 0.0 112.717 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.61 68.02 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.465 0.478 . . . . 0.0 111.556 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.93 -37.29 53.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.287 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 53' ' ' THR . 53.8 mt -61.94 -38.35 80.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.437 0.636 . . . . 0.0 109.826 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 24' ' ' PRO . 5.8 m-85 -92.51 4.49 53.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.649 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 66.17 24.1 10.85 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.452 1.101 . . . . 0.0 111.05 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -109.33 158.96 17.38 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.443 0.639 . . . . 0.0 111.741 -176.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.0 m -88.79 141.95 30.27 Favored Pre-proline 0 C--N 1.298 -1.636 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.471 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -44.48 -45.25 13.02 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 124.742 3.628 . . . . 0.0 116.555 -174.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.6 m -66.21 -50.74 62.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 118.079 0.4 . . . . 0.0 110.786 -176.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.4 m -69.66 -27.56 34.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.231 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.8 -46.1 76.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -62.63 -43.56 98.49 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.571 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.89 -42.05 97.23 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.751 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -52.67 -57.08 11.22 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.27 0.628 . . . . 0.0 111.198 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.06 -38.74 68.41 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.1 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.8 mt -73.3 -38.91 54.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.296 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.4 p -69.55 -22.9 63.51 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -85.63 -14.35 45.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.356 0.598 . . . . 0.0 109.703 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.37 19.52 68.83 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 -177.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.3 t -88.52 -34.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.142 0.496 . . . . 0.0 109.687 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.8 tp -116.29 148.12 40.85 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.947 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.03 141.29 58.82 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.337 1.023 . . . . 0.0 110.144 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.85 -27.83 67.85 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -174.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.61 -20.35 62.76 Favored 'General case' 0 C--N 1.31 -1.128 0 O-C-N 122.093 -0.38 . . . . 0.0 111.974 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.02 -38.74 62.61 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.189 0.596 . . . . 0.0 111.955 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -26.28 67.92 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 55.8 ttp85 -72.4 -53.4 12.36 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.38 -36.87 85.55 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.498 -1.228 . . . . 0.0 112.554 -174.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.7 p -76.53 -27.1 17.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.668 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.28 -36.47 54.26 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.928 0.394 . . . . 0.0 110.603 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.5 p -82.03 106.77 14.21 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 68.56 -173.87 0.19 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.974 0.909 . . . . 0.0 110.385 177.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.04 -53.77 1.2 Allowed 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -126.11 -48.14 1.61 Allowed 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 103.943 -2.614 . . . . 0.0 103.943 170.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.6 mt . . . . . 0 N--CA 1.415 -2.181 0 N-CA-C 103.879 -2.637 . . . . 0.0 103.879 172.464 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 CA--C 1.503 -0.851 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 68.68 144.64 0.1 OUTLIER Pre-proline 0 C--O 1.24 0.585 0 C-N-CA 124.495 1.118 . . . . 0.0 111.2 -177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.83 145.52 80.78 Favored 'Trans proline' 0 N--CA 1.446 -1.313 0 C-N-CA 121.348 1.365 . . . . 0.0 109.54 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 47.9 Cg_exo -60.46 141.23 94.96 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.581 1.521 . . . . 0.0 108.826 174.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 51.3 Cg_exo -55.17 99.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.703 2.269 . . . . 0.0 112.667 -177.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -109.59 125.43 52.54 Favored 'General case' 0 N--CA 1.419 -1.989 0 CA-C-N 114.915 -1.039 . . . . 0.0 108.312 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 62.1 mt -81.36 104.67 11.97 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.395 -171.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.24 126.89 74.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.9 mt -102.67 138.61 39.35 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.314 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -89.6 107.64 19.2 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 175.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 44' ' ' LEU . 92.1 mt -74.51 -22.26 59.14 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.967 -174.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -76.06 -39.18 56.04 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -68.59 -35.31 77.18 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 HD11 HD23 ' A' ' 25' ' ' LEU . 46.6 tp -65.4 -29.05 69.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.211 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.71 -22.42 59.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 m -81.93 -31.82 31.14 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.221 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.03 132.07 93.54 Favored Pre-proline 0 C--O 1.242 0.7 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -39.59 134.48 1.43 Allowed 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 124.291 3.327 . . . . 0.0 113.458 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.05 -18.25 45.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -174.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -79.01 -30.28 44.16 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.561 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -85.24 -48.44 9.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.183 0.516 . . . . 0.0 110.374 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.91 -6.12 27.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -173.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.28 -60.26 9.25 Favored Glycine 0 N--CA 1.468 0.77 0 CA-C-O 119.907 -0.385 . . . . 0.0 113.502 -177.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -57.59 -28.29 80.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 122.549 2.166 . . . . 0.0 112.48 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.427 HD23 HD11 ' A' ' 14' ' ' LEU . 46.1 tp -77.84 -34.36 51.89 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.508 -177.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -63.97 -23.34 67.3 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.977 0.418 . . . . 0.0 111.498 175.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -69.62 -53.17 20.04 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.568 ' CD2' HD21 ' A' ' 54' ' ' LEU . 69.9 t80 -57.35 -42.02 81.21 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 114.319 -1.309 . . . . 0.0 110.186 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.57 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -54.06 -51.87 62.7 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.894 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.0 76.16 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-O 121.262 0.554 . . . . 0.0 111.831 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.1 m -67.09 -47.17 72.02 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 121.492 0.663 . . . . 0.0 109.777 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.51 HG13 ' CE2' ' A' ' 28' ' ' TYR . 34.7 mm -69.81 -36.29 69.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.857 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 28.6 mt-30 -55.01 -47.96 74.0 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.5 m -60.27 -41.5 93.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.564 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -71.37 -29.06 64.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -99.31 7.86 45.22 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.294 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.19 27.79 71.23 Favored Glycine 0 C--O 1.242 0.643 0 CA-C-N 115.199 -0.91 . . . . 0.0 114.138 174.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.547 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 22.1 t70 -108.17 129.62 55.17 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.228 -178.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -132.07 29.17 4.4 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -91.83 -38.69 12.19 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.834 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.82 22.3 77.2 Favored Glycine 0 C--O 1.224 -0.526 0 CA-C-N 115.59 -0.732 . . . . 0.0 113.691 175.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -100.25 -64.99 0.99 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 117.231 0.515 . . . . 0.0 111.609 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.5 m -126.56 125.35 67.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.969 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' HB2' HD11 ' A' ' 11' ' ' LEU . 59.0 tp -116.01 119.39 35.74 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.055 -178.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 m -82.46 125.26 30.88 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.636 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.3 pt -123.93 176.25 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.251 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -107.15 169.4 8.58 Favored 'General case' 0 C--N 1.29 -1.978 0 C-N-CA 123.09 0.556 . . . . 0.0 109.841 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -66.8 -31.78 72.63 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.3 -41.24 98.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.473 -1.24 . . . . 0.0 111.027 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -65.97 -42.66 89.6 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HG ' HD12 ' A' ' 65' ' ' LEU . 7.6 tt -62.62 -41.13 98.82 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.653 178.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -62.74 -38.24 89.75 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.167 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.8 m -67.85 -38.99 83.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.343 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.568 HD21 ' CD2' ' A' ' 28' ' ' TYR . 92.1 mt -61.12 -39.76 91.21 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.176 177.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.52 69.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.829 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.98 -47.85 66.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.967 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.4 mt -63.04 -46.37 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.604 0.716 . . . . 0.0 110.808 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.425 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 9.6 m-85 -91.37 8.02 38.22 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.026 -172.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 52.81 65.95 1.37 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.267 1.032 . . . . 0.0 110.539 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -139.01 172.8 12.31 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.8 p -102.87 155.48 36.52 Favored Pre-proline 0 C--N 1.282 -2.332 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -46.3 -43.49 21.39 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.267 2.645 . . . . 0.0 114.008 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.454 ' HA ' HG22 ' A' ' 66' ' ' THR . 22.1 t -71.1 -40.47 71.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.693 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.4 t -68.03 -37.44 78.27 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 CA-C-O 121.184 0.516 . . . . 0.0 109.728 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.406 HD12 ' HG ' ' A' ' 51' ' ' LEU . 3.2 tm? -63.34 -51.61 65.26 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.615 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 63' ' ' SER . 13.7 t -64.32 -35.05 79.6 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.17 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.61 -38.27 89.53 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -68.52 -48.62 63.9 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.182 0.301 . . . . 0.0 111.009 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.23 -39.79 79.99 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.07 -34.33 45.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.363 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.6 t -61.55 -42.05 98.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 28.8 m0 -74.49 -16.59 60.84 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.346 0.593 . . . . 0.0 111.103 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.1 10.51 78.14 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.4 t -77.02 -35.21 22.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 tp -112.88 146.13 39.46 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.68 146.3 51.71 Favored 'General case' 0 C--N 1.313 -1.019 0 O-C-N 123.81 0.694 . . . . 0.0 111.467 -177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.454 ' O ' ' HD2' ' A' ' 80' ' ' ARG . . . -69.05 -27.91 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -176.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.525 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 33.7 t70 -83.91 -23.19 31.3 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.521 0.677 . . . . 0.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.64 -24.15 55.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.401 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.525 ' NH1' ' HA ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -56.99 -16.36 6.83 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.227 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -58.11 -19.47 32.61 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.24 -23.34 57.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.081 0.467 . . . . 0.0 110.963 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.9 t -107.68 -33.27 2.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.709 0.766 . . . . 0.0 109.494 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.7 -164.69 1.21 Allowed 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.4 m -98.33 140.71 32.19 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -73.85 -57.54 3.91 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -129.91 -166.95 1.74 Allowed 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.36 -67.85 0.52 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--O 1.257 1.449 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 174.252 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.7 ttm . . . . . 0 CA--C 1.511 -0.543 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -84.43 141.81 39.77 Favored Pre-proline 0 C--N 1.305 -1.366 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.77 151.52 57.55 Favored 'Trans proline' 0 CA--C 1.549 1.257 0 C-N-CA 121.778 1.652 . . . . 0.0 111.057 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 52.4 Cg_exo -56.58 122.22 11.42 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.189 2.593 . . . . 0.0 112.143 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 33.4 Cg_exo -59.45 107.72 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.893 2.395 . . . . 0.0 111.795 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -81.52 132.35 35.31 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.119 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.417 ' HB2' HG13 ' A' ' 46' ' ' ILE . 61.4 mt -105.8 136.82 44.74 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.8 t -111.18 113.02 43.07 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-O 121.143 0.497 . . . . 0.0 110.141 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.1 tp -94.14 124.99 38.5 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -88.84 109.96 20.64 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.5 mt -73.28 -34.88 66.03 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.666 -174.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -68.71 -44.05 74.72 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.962 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -68.63 -31.76 71.14 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.353 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.79 -35.19 77.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.266 0.555 . . . . 0.0 109.528 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.447 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -74.3 -17.3 60.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.214 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -85.08 -21.03 29.5 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.303 0.573 . . . . 0.0 109.713 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -86.86 124.75 68.54 Favored Pre-proline 0 N--CA 1.442 -0.871 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -53.69 151.49 25.07 Favored 'Trans proline' 0 C--O 1.259 1.531 0 C-N-CA 123.158 2.572 . . . . 0.0 113.554 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -21.51 47.31 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -170.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 2.5 mp0 -56.84 -47.64 79.88 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.732 0.696 . . . . 0.0 110.385 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -100.88 -30.99 11.37 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.754 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.92 -17.02 19.48 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.93 -64.03 4.08 Favored Glycine 0 N--CA 1.474 1.168 0 N-CA-C 114.803 0.681 . . . . 0.0 114.803 -175.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.47 -26.04 76.38 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.696 2.264 . . . . 0.0 112.523 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 3.5 tt -77.42 -40.66 42.68 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 15' ' ' ALA . 17.1 mm-40 -56.46 -44.07 80.16 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.659 0.784 . . . . 0.0 110.674 175.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -46.07 85.91 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 123.768 0.668 . . . . 0.0 111.44 177.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -65.85 -47.56 74.54 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.82 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.21 89.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.104 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.58 91.53 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.085 0.469 . . . . 0.0 110.467 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.419 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 98.2 m -64.53 -42.85 95.48 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.811 177.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mm -61.83 -44.96 99.59 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -55.63 -44.2 76.87 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.422 0.629 . . . . 0.0 111.242 176.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m -68.08 -27.48 66.53 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.388 -177.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 31' ' ' THR . 91.7 mt-30 -88.19 -19.72 26.53 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.478 0.656 . . . . 0.0 110.105 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -78.81 -26.09 44.27 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.21 -58.16 3.54 Favored Glycine 0 N--CA 1.44 -1.074 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.035 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -112.27 134.31 53.89 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -67.33 128.51 36.68 Favored 'General case' 0 C--N 1.311 -1.085 0 O-C-N 124.071 0.857 . . . . 0.0 109.385 -176.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -63.67 -35.26 79.95 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.607 0.567 . . . . 0.0 112.18 -174.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.36 -105.1 0.64 Allowed Glycine 0 N--CA 1.435 -1.38 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.566 173.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -94.88 -36.07 11.78 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.662 0.744 . . . . 0.0 110.243 -176.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.95 171.92 16.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.614 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -141.11 129.73 22.75 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 p -86.73 115.4 24.15 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.11 0.481 . . . . 0.0 110.936 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 7' ' ' LEU . 29.3 pt -119.31 159.39 20.14 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.421 ' HB2' ' HB2' ' A' ' 50' ' ' ASP . 41.0 mtm180 -82.15 159.0 23.43 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.805 -0.758 . . . . 0.0 112.128 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.419 ' CD ' ' H ' ' A' ' 48' ' ' GLN . 3.6 pm0 -51.18 -50.09 59.66 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 125.89 1.676 . . . . 0.0 112.362 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -82.13 -18.28 43.44 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 121.003 0.43 . . . . 0.0 111.565 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 47' ' ' ARG . 32.8 t70 -70.79 -33.05 70.35 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.264 0.554 . . . . 0.0 110.072 -175.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' A' ' 54' ' ' LEU . 3.5 tm? -63.15 -29.28 70.67 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.775 177.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -68.44 -23.64 64.63 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.092 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 m -70.46 -33.41 71.26 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.036 0.446 . . . . 0.0 110.337 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 51' ' ' LEU . 7.4 mp -65.4 -37.26 86.44 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.743 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.95 -39.75 78.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.367 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.95 -40.67 89.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.067 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.7 mt -63.32 -39.51 85.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.963 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.48 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 3.0 m-85 -94.89 7.82 44.75 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.057 -175.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 61.5 30.86 18.97 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 123.876 0.87 . . . . 0.0 112.546 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -104.56 169.35 8.51 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.653 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.0 t -99.57 137.21 20.22 Favored Pre-proline 0 N--CA 1.415 -2.205 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.81 -32.83 38.59 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.554 2.836 . . . . 0.0 113.18 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 m -55.82 -56.3 22.21 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.945 0.898 . . . . 0.0 110.516 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -78.96 -25.81 13.19 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.313 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.48 -47.36 76.33 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.4 m -63.39 -38.1 89.84 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.32 -45.74 92.33 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.46 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.59 -53.84 52.65 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.75 0.82 . . . . 0.0 111.42 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 75' ' ' LEU . 4.2 mm? -53.93 -42.67 69.05 Favored 'General case' 0 C--O 1.249 1.075 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.0 mt -68.15 -36.08 73.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-O 121.035 0.445 . . . . 0.0 110.764 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.3 m -69.9 -28.17 65.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.142 0.496 . . . . 0.0 111.379 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -84.21 -16.54 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.58 13.97 79.07 Favored Glycine 0 C--O 1.243 0.659 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -86.27 -28.28 6.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.511 0.672 . . . . 0.0 109.228 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 69' ' ' LEU . 51.9 tp -118.74 135.78 54.31 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.88 132.56 51.17 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 123.962 0.789 . . . . 0.0 109.91 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.39 -37.01 46.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -172.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.41 -19.26 8.65 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.06 0.944 . . . . 0.0 112.524 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.99 53.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.792 0.437 . . . . 0.0 111.583 175.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -29.61 69.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.04 0.447 . . . . 0.0 110.179 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -76.03 -40.46 53.42 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.63 -46.38 82.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.654 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.4 t -72.61 -24.71 21.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.831 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 57.37 64.86 1.48 Allowed 'General case' 0 C--O 1.245 0.83 0 C-N-CA 124.388 1.075 . . . . 0.0 110.661 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.2 m -157.6 132.9 8.92 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.715 -1.129 . . . . 0.0 108.865 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -163.23 144.82 9.71 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -93.69 -16.75 23.94 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 171.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 94.05 -45.81 0.01 OUTLIER 'General case' 0 C--O 1.243 0.732 0 C-N-CA 128.326 2.65 . . . . 0.0 111.199 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.0 tp . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.948 -0.549 . . . . 0.0 109.573 176.913 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.0 tpp . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -95.95 142.24 24.29 Favored Pre-proline 0 C--N 1.31 -1.112 0 O-C-N 122.345 -0.222 . . . . 0.0 110.587 -176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -69.04 169.98 16.75 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.211 2.607 . . . . 0.0 112.076 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 38.5 Cg_exo -43.03 129.59 5.71 Favored 'Trans proline' 0 C--N 1.367 1.534 0 C-N-CA 123.552 2.834 . . . . 0.0 112.347 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 50.5 Cg_exo -56.55 116.74 3.41 Favored 'Trans proline' 0 C--O 1.253 1.256 0 C-N-CA 122.942 2.428 . . . . 0.0 112.459 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -88.67 103.88 16.35 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 45' ' ' SER . 71.3 mt -83.25 97.5 8.9 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.905 -176.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m -93.89 112.57 27.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-O 121.488 0.661 . . . . 0.0 111.577 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 9' ' ' LEU . 3.9 pp -101.48 131.11 47.78 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -77.59 118.49 20.04 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.066 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -78.46 -16.42 57.58 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -84.43 -42.13 15.96 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 4.5 mmt180 -68.14 -33.52 74.63 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.919 174.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.42 -29.17 70.23 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.183 0.516 . . . . 0.0 109.847 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.58 -23.09 60.91 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.518 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.5 p -87.21 -10.34 52.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.884 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.6 t -81.77 129.16 66.23 Favored Pre-proline 0 C--O 1.241 0.634 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.5 142.93 80.06 Favored 'Trans proline' 0 C--O 1.252 1.222 0 C-N-CA 123.015 2.477 . . . . 0.0 113.111 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.88 -18.85 58.59 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.22 1.008 . . . . 0.0 111.659 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -54.26 -32.84 57.16 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.101 0.56 . . . . 0.0 110.997 174.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -118.69 -38.1 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.162 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.06 -2.03 58.37 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.18 -64.94 3.93 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 121.702 -0.285 . . . . 0.0 113.298 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.98 -20.99 57.35 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.237 1.958 . . . . 0.0 111.933 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.98 -42.75 59.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.272 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.88 -34.55 76.22 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.543 175.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -64.89 -49.81 69.01 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.05 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.483 ' O ' HG12 ' A' ' 32' ' ' ILE . 46.1 t80 -59.27 -47.26 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.761 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.33 85.01 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.05 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.08 77.56 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.506 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.1 m -65.28 -43.38 91.37 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 28' ' ' TYR . 49.2 mm -62.24 -44.88 99.63 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.93 -47.86 83.54 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.28 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 p -69.57 -36.9 76.72 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -60.78 -50.65 72.61 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.413 0.149 . . . . 0.0 111.039 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.41 -26.79 61.99 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.294 0.568 . . . . 0.0 109.853 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.71 41.21 51.01 Favored Glycine 0 N--CA 1.438 -1.213 0 N-CA-C 107.599 -2.201 . . . . 0.0 107.599 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -104.08 133.23 49.38 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.428 -0.886 . . . . 0.0 108.836 -173.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -100.29 12.04 38.01 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.631 0.729 . . . . 0.0 111.291 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -73.3 105.07 4.54 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.795 0.807 . . . . 0.0 110.576 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.85 23.73 25.14 Favored Glycine 0 C--N 1.302 -1.331 0 CA-C-N 114.385 -1.279 . . . . 0.0 112.072 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -98.15 -65.03 0.99 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.479 0.657 . . . . 0.0 109.931 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.84 127.69 18.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.9 tp -102.58 120.08 39.94 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 22.0 t -93.75 114.54 26.84 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.473 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -113.19 173.22 2.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 109.632 -0.506 . . . . 0.0 109.632 177.622 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -85.66 163.2 18.42 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.634 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.488 ' CD ' ' H ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -65.45 -24.17 67.11 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.642 0.734 . . . . 0.0 109.056 171.167 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.418 ' HA ' ' HG3' ' A' ' 52' ' ' ARG . 5.3 m-20 -65.98 -34.97 79.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.143 174.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -75.9 -41.69 51.23 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.433 HD21 ' OG1' ' A' ' 66' ' ' THR . 31.8 tp -52.86 -48.95 66.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.103 176.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -68.07 -30.18 69.32 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 179.677 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.628 ' O ' HG13 ' A' ' 57' ' ' ILE . 89.5 m -71.87 -40.63 68.81 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 28' ' ' TYR . 95.4 mt -54.34 -48.09 71.8 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.111 0.564 . . . . 0.0 110.161 175.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.71 74.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.231 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 52' ' ' ARG . 95.5 t -69.47 -36.7 72.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.033 0.444 . . . . 0.0 110.533 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.628 HG13 ' O ' ' A' ' 53' ' ' THR . 53.3 mt -67.32 -34.03 66.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.598 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -101.9 4.03 39.73 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.91 -175.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 61.88 34.75 16.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.92 0.888 . . . . 0.0 111.945 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -109.92 164.89 12.16 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.794 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.1 t -78.53 135.0 61.06 Favored Pre-proline 0 C--N 1.299 -1.599 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.1 -38.56 80.85 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.95 2.433 . . . . 0.0 112.083 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -64.01 -42.44 97.15 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.61 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.2 t -75.54 -39.47 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.423 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.5 tm? -56.68 -42.18 78.62 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 123.365 0.666 . . . . 0.0 109.215 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.433 ' OG1' HD21 ' A' ' 51' ' ' LEU . 59.8 m -58.12 -49.8 75.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.859 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.69 -40.22 95.0 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.411 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -56.97 -48.3 78.71 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.723 0.409 . . . . 0.0 111.222 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.446 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 4.2 mm? -59.87 -35.43 74.8 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.238 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 90.5 mt -72.79 -38.19 56.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.341 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.4 m -63.36 -36.64 84.39 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.907 0.483 . . . . 0.0 111.466 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -76.91 -13.18 60.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.51 0.671 . . . . 0.0 109.978 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.87 30.0 49.4 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 9' ' ' LEU . 58.0 t -98.63 -48.53 12.01 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.446 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 61.5 tp -95.73 143.55 26.88 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.68 139.54 57.85 Favored 'General case' 0 C--N 1.317 -0.804 0 O-C-N 123.426 0.454 . . . . 0.0 109.932 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -54.93 -42.12 71.88 Favored 'General case' 0 C--O 1.209 -1.069 0 C-N-CA 124.026 0.93 . . . . 0.0 113.272 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.46 -25.77 1.17 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.08 -30.91 68.43 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.427 0.291 . . . . 0.0 111.563 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 6.7 ptm180 -63.36 -34.84 78.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.097 0.475 . . . . 0.0 109.901 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.474 ' NH2' ' HB2' ' A' ' 88' ' ' GLU . 24.5 tpt180 -85.65 -30.55 23.14 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.237 -178.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.81 -50.06 73.8 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.561 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -109.84 79.64 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.375 0 CA-C-O 123.026 1.393 . . . . 0.0 109.56 174.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.06 168.61 8.94 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.215 -175.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.9 m -84.09 -41.04 17.56 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -112.62 110.64 20.92 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -78.71 144.7 35.04 Favored 'General case' 0 CA--C 1.489 -1.372 0 O-C-N 123.453 0.47 . . . . 0.0 110.788 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.474 ' HB2' ' NH2' ' A' ' 81' ' ' ARG . 8.6 tp10 -104.98 -15.83 15.0 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.431 -0.804 . . . . 0.0 108.996 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.9 tp . . . . . 0 N--CA 1.432 -1.347 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.723 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.7 mmm . . . . . 0 CA--C 1.507 -0.704 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.48 118.31 58.58 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -63.14 126.48 17.98 Favored 'Trans proline' 0 C--O 1.241 0.659 0 C-N-CA 122.465 2.11 . . . . 0.0 110.897 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -81.85 169.32 15.0 Favored 'Trans proline' 0 CA--C 1.552 1.379 0 C-N-CA 123.123 2.549 . . . . 0.0 112.894 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.89 132.66 48.08 Favored 'Trans proline' 0 C--N 1.363 1.341 0 C-N-CA 123.626 2.884 . . . . 0.0 111.737 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 6.6 mptt -96.51 132.77 41.74 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -175.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.75 96.81 10.63 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.402 ' HB ' ' HB2' ' A' ' 76' ' ' ASP . 47.0 t -104.18 124.34 58.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.5 tp -97.12 117.18 30.74 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.67 113.23 19.53 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.9 mt -80.08 -18.13 50.81 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.61 -46.92 11.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 120.962 0.411 . . . . 0.0 110.017 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.93 -28.36 68.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.17 0.51 . . . . 0.0 109.779 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.08 -33.9 74.07 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.833 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.81 -24.96 52.8 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 120.957 0.408 . . . . 0.0 111.411 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 p -77.85 -15.63 58.91 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.964 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -81.18 129.85 65.19 Favored Pre-proline 0 N--CA 1.44 -0.95 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -43.96 138.7 6.2 Favored 'Trans proline' 0 C--O 1.254 1.278 0 C-N-CA 124.116 3.211 . . . . 0.0 113.705 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.48 60.98 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 123.92 0.888 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.98 -28.35 62.27 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -112.47 -46.1 3.19 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 120.912 0.387 . . . . 0.0 110.649 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -88.08 -12.8 43.17 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -173.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -44.88 -71.37 0.48 Allowed Glycine 0 N--CA 1.481 1.659 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 -174.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -68.31 -22.89 39.22 Favored 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 122.214 1.943 . . . . 0.0 112.855 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HB2' ' OH ' ' A' ' 58' ' ' TYR . 4.7 tt -66.71 -42.42 86.38 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 55.1 mt-30 -63.98 -30.07 71.17 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.751 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -68.22 -46.25 71.05 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.904 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.483 ' O ' HG12 ' A' ' 32' ' ' ILE . 63.6 t80 -53.86 -49.17 69.08 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.235 174.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.14 90.65 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.08 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.37 87.79 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 122.989 0.515 . . . . 0.0 111.091 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.515 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 64.1 m -64.79 -41.52 95.76 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.389 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 28' ' ' TYR . 50.7 mm -62.68 -41.33 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 121.241 0.543 . . . . 0.0 109.67 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -59.87 -40.87 90.13 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.403 176.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.3 m -70.54 -28.15 64.7 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.529 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 31' ' ' THR . 81.2 mm-40 -75.05 -40.65 60.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.594 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -90.31 -5.37 56.34 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 -57.3 4.63 Favored Glycine 0 C--O 1.239 0.461 0 C-N-CA 121.242 -0.504 . . . . 0.0 111.946 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -144.84 163.12 35.05 Favored 'General case' 0 N--CA 1.418 -2.04 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 44' ' ' LEU . 13.4 t80 -153.89 -170.39 3.56 Favored 'General case' 0 N--CA 1.416 -2.168 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -58.81 -45.99 88.65 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 123.514 0.725 . . . . 0.0 109.983 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.7 -40.66 2.46 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.856 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -81.5 -41.42 21.74 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.404 0.621 . . . . 0.0 109.658 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.8 m -128.48 160.79 38.33 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.872 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 61.5 tp -135.46 118.73 16.66 Favored 'General case' 0 C--N 1.311 -1.081 0 C-N-CA 123.817 0.847 . . . . 0.0 109.302 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -80.43 122.62 27.19 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 50' ' ' ASP . 42.4 pt -118.82 170.38 8.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -178.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -105.29 175.52 5.47 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -66.14 -28.32 68.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.927 0.394 . . . . 0.0 111.772 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -75.5 -31.09 60.05 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.379 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 5.4 m-20 -60.73 -46.14 91.58 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.1 tp -56.41 -46.74 80.03 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.404 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.494 ' O ' HG23 ' A' ' 56' ' ' VAL . 64.2 mtt180 -64.36 -39.7 94.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.214 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.415 ' O ' HG13 ' A' ' 57' ' ' ILE . 28.1 m -60.95 -36.81 80.36 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.0 0.429 . . . . 0.0 110.639 -178.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.472 HD22 ' HG ' ' A' ' 25' ' ' LEU . 90.3 mt -62.96 -34.51 77.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.347 0.594 . . . . 0.0 110.869 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.58 -32.84 66.31 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.122 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 52' ' ' ARG . 61.5 t -67.82 -33.53 62.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.727 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 53' ' ' THR . 37.1 mt -56.17 -46.58 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.555 0.693 . . . . 0.0 109.712 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.62 ' OH ' ' HB2' ' A' ' 25' ' ' LEU . 9.2 m-85 -93.25 -4.27 52.18 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.968 -174.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 60.7 58.56 2.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.984 1.373 . . . . 0.0 109.962 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -131.92 171.99 12.89 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.126 -1.397 . . . . 0.0 109.455 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.6 t -77.22 139.33 64.61 Favored Pre-proline 0 N--CA 1.425 -1.711 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.805 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -58.4 -29.97 89.91 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.539 2.16 . . . . 0.0 110.74 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 m -57.03 -53.82 53.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.838 0.855 . . . . 0.0 110.577 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -73.27 -30.6 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.732 -176.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 2.9 tm? -66.53 -44.08 83.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.8 m -63.64 -50.86 67.66 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.709 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.93 -32.27 73.74 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.655 -177.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -66.56 -49.23 67.09 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.399 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.449 HD23 ' CZ3' ' A' ' 72' ' ' TRP . 78.2 mt -57.9 -39.71 78.57 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.552 0.215 . . . . 0.0 111.47 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.89 -43.0 96.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.087 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.8 m -66.7 -32.45 73.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.449 ' CZ3' HD23 ' A' ' 69' ' ' LEU . 35.5 m0 -77.53 -17.41 57.96 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.031 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.84 20.75 57.38 Favored Glycine 0 C--N 1.321 -0.281 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.7 t -93.38 -40.4 11.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.021 0.438 . . . . 0.0 110.494 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.4 tp -94.93 141.57 28.5 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.402 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 24.7 t70 -54.27 137.36 41.51 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 124.022 0.826 . . . . 0.0 111.058 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.412 ' O ' ' HD2' ' A' ' 80' ' ' ARG . . . -60.47 -33.0 71.94 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.559 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 21.6 t70 -80.82 -20.14 43.1 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 121.744 -0.597 . . . . 0.0 111.086 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.68 -24.88 15.85 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.559 ' NH1' ' HA ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -62.24 -23.02 66.43 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.071 0.462 . . . . 0.0 111.176 -178.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -70.83 -13.69 62.13 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.04 -30.6 21.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.044 0.45 . . . . 0.0 111.001 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -97.14 -25.36 4.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.91 0.386 . . . . 0.0 111.896 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.37 -168.36 1.85 Allowed 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 87.9 p 59.69 178.45 0.08 Allowed 'General case' 0 C--O 1.257 1.469 0 C-N-CA 124.795 1.238 . . . . 0.0 113.071 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.421 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 57.3 t-80 72.94 131.63 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.028 1.331 . . . . 0.0 108.924 -175.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 86' ' ' HIS . 26.3 t70 79.13 123.04 0.05 OUTLIER 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.494 1.117 . . . . 0.0 109.125 -172.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 73.76 95.91 0.07 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.417 1.487 . . . . 0.0 108.441 -172.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.2 tp . . . . . 0 C--N 1.306 -1.309 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.874 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpt . . . . . 0 C--O 1.237 0.434 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 60.54 79.0 0.3 Allowed Pre-proline 0 N--CA 1.476 0.839 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -175.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -57.52 -49.29 13.97 Favored 'Trans proline' 0 CA--C 1.566 2.079 0 C-N-CA 122.856 2.371 . . . . 0.0 114.73 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 14.2 Cg_exo -71.72 127.16 12.75 Favored 'Trans proline' 0 C--N 1.374 1.918 0 CA-C-N 121.026 1.402 . . . . 0.0 111.678 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 51.3 Cg_exo -57.33 116.91 3.56 Favored 'Trans proline' 0 C--O 1.246 0.908 0 C-N-CA 123.192 2.595 . . . . 0.0 112.952 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -86.28 121.78 29.34 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 67.9 mt -117.35 131.84 56.71 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.427 0.632 . . . . 0.0 112.044 -170.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.6 t -110.81 116.52 52.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 74' ' ' VAL . 38.4 tp -102.2 128.75 48.57 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -177.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.43 108.29 16.49 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.6 mt -80.89 -23.21 39.15 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -176.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -79.44 -33.3 42.62 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -176.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -71.41 -36.89 71.51 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.448 HD21 HD22 ' A' ' 25' ' ' LEU . 35.1 tp -63.97 -36.81 85.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.317 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.85 69.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.429 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 p -89.99 -5.31 56.8 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t -82.55 128.31 67.17 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -38.68 138.67 0.49 Allowed 'Trans proline' 0 C--O 1.261 1.647 0 C-N-CA 124.588 3.525 . . . . 0.0 114.742 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.43 -23.97 63.12 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 124.551 1.14 . . . . 0.0 112.352 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -57.12 -34.53 68.47 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.204 0.526 . . . . 0.0 111.056 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -110.54 -53.84 2.65 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.841 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -90.39 -11.49 40.35 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -172.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.45 -65.21 3.44 Favored Glycine 0 CA--C 1.535 1.297 0 N-CA-C 114.195 0.438 . . . . 0.0 114.195 -175.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -62.7 -24.39 74.77 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.443 2.095 . . . . 0.0 112.365 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD22 HD21 ' A' ' 14' ' ' LEU . 4.9 tt -75.21 -41.41 57.79 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 80.1 mt-30 -59.18 -39.76 83.56 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 121.097 0.475 . . . . 0.0 110.189 176.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -65.02 -43.68 91.66 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.433 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' O ' HG12 ' A' ' 32' ' ' ILE . 52.5 t80 -56.8 -51.16 70.03 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 174.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.491 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -55.93 -48.19 76.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.428 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.08 70.36 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.231 0.613 . . . . 0.0 111.62 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.9 m -73.13 -30.24 63.46 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.433 0.635 . . . . 0.0 109.767 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 49.8 mm -83.96 -31.52 8.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.681 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 79.2 mt-30 -49.46 -44.19 45.6 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.996 0.518 . . . . 0.0 111.769 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.4 p -64.14 -36.02 82.68 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -176.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 3.5 pt20 -78.59 -23.0 46.23 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.012 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -86.49 2.77 46.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.505 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.03 17.33 13.06 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.997 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 t70 75.88 -52.46 0.63 Allowed 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 125.651 1.58 . . . . 0.0 112.442 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.09 -5.89 59.31 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.011 -1.449 . . . . 0.0 113.349 -175.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -86.4 64.72 8.69 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 171.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.88 -2.08 3.19 Favored Glycine 0 N--CA 1.431 -1.7 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.382 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -80.3 -53.48 6.6 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 172.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.8 m -123.93 131.1 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.63 0 CA-C-N 113.17 -1.832 . . . . 0.0 106.234 171.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.451 ' HG ' HG23 ' A' ' 46' ' ' ILE . 42.1 tp -97.64 118.19 33.62 Favored 'General case' 0 C--N 1.281 -2.4 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -176.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -91.29 102.51 15.22 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.451 HG23 ' HG ' ' A' ' 44' ' ' LEU . 2.4 pp -131.88 -179.93 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -175.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -103.48 163.7 12.12 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.111 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 4.5 pm0 -64.85 -26.4 68.31 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.746 175.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.93 -38.87 87.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.612 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.52 -29.3 56.69 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.991 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.02 -37.61 88.06 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 48' ' ' GLN . 12.0 mmm180 -60.37 -44.05 96.0 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.031 177.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.539 ' O ' HG13 ' A' ' 57' ' ' ILE . 15.8 m -58.84 -47.3 85.34 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.068 178.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.9 mt -54.6 -49.04 71.37 Favored 'General case' 0 CA--C 1.516 -0.364 0 O-C-N 123.901 0.751 . . . . 0.0 111.287 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.11 -37.17 69.04 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.757 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.0 t -70.61 -38.05 71.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.668 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 53' ' ' THR . 34.3 mt -62.74 -38.46 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 -176.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.23 1.27 47.11 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.293 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 53.13 64.12 1.98 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.861 1.264 . . . . 0.0 109.464 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -140.97 147.12 38.25 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.629 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 t -63.81 140.15 97.77 Favored Pre-proline 0 C--N 1.307 -1.277 0 O-C-N 123.641 0.588 . . . . 0.0 109.978 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.51 -34.24 71.47 Favored 'Trans proline' 0 C--N 1.362 1.247 0 C-N-CA 123.15 2.567 . . . . 0.0 111.744 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 m -60.84 -53.35 58.41 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.244 0.618 . . . . 0.0 110.037 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.441 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 36.5 t -66.65 -39.43 83.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.727 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.44 -50.27 73.56 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.689 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -60.0 -46.51 89.23 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.511 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.17 -35.58 81.24 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 27.7 mm-40 -59.43 -53.99 51.76 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.9 0.381 . . . . 0.0 110.086 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mp -54.21 -43.47 70.83 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.226 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.3 mt -67.82 -38.53 80.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 m -72.6 -22.95 60.89 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.895 0.378 . . . . 0.0 111.151 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -86.49 -15.72 39.23 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 120.916 0.389 . . . . 0.0 110.026 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.69 22.48 55.76 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.425 ' O ' HD12 ' A' ' 9' ' ' LEU . 24.1 m -101.09 -8.06 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.452 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.2 tp -142.21 152.09 42.77 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -89.17 156.62 18.68 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.65 -16.69 64.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.174 0.989 . . . . 0.0 113.177 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -71.9 -27.75 63.04 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.424 0.63 . . . . 0.0 110.431 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.7 -24.24 65.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.794 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -58.1 -23.68 55.74 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.63 0.772 . . . . 0.0 111.478 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -74.48 -13.84 60.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.869 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.59 75.61 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.4 t -103.81 73.61 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.67 -175.33 2.94 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.715 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 m -70.95 133.19 46.19 Favored 'General case' 0 N--CA 1.433 -1.318 0 O-C-N 123.553 0.533 . . . . 0.0 109.764 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -134.59 -177.01 4.41 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.53 -3.29 49.58 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 121.282 0.563 . . . . 0.0 110.084 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -112.11 2.09 16.6 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 124.188 0.995 . . . . 0.0 109.432 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 N--CA 1.441 -0.878 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -177.317 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' HG2' ' A' ' 47' ' ' ARG . 92.2 mmm . . . . . 0 CA--C 1.501 -0.928 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -65.19 -53.17 42.38 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.046 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -65.69 124.82 13.31 Favored 'Trans proline' 0 C--N 1.379 2.164 0 N-CA-C 109.153 -1.134 . . . . 0.0 109.153 171.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -51.24 -46.77 29.31 Favored 'Trans proline' 0 CA--C 1.561 1.847 0 C-N-CA 123.012 2.475 . . . . 0.0 115.059 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -72.83 106.18 2.08 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 121.185 1.257 . . . . 0.0 113.907 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.32 150.27 40.99 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 113.932 -1.485 . . . . 0.0 108.897 174.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' ' 45' ' ' SER . 2.7 mm? -82.01 97.56 8.17 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.187 0.517 . . . . 0.0 111.117 -173.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -89.81 117.22 32.69 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.85 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -112.99 126.86 55.95 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -82.53 115.31 21.46 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.5 mt -78.12 -26.39 47.92 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -73.9 -44.69 54.45 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -70.35 -29.17 65.79 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.99 -29.27 70.18 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.072 177.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.89 -6.68 59.34 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.115 0.484 . . . . 0.0 110.455 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -94.32 -20.48 19.73 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.243 0.544 . . . . 0.0 109.823 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -93.88 134.02 26.84 Favored Pre-proline 0 N--CA 1.434 -1.267 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -20.98 115.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.372 1.774 1 C-N-CA 126.586 4.857 . . . . 0.0 116.728 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.58 -23.25 66.92 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.815 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 1.6 pm0 -75.32 -12.55 60.29 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.525 -0.734 . . . . 0.0 112.105 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -109.43 -47.94 3.32 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.902 0.382 . . . . 0.0 110.545 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -90.9 -11.56 38.79 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -44.57 -57.66 5.05 Favored Glycine 0 N--CA 1.484 1.857 0 N-CA-C 114.986 0.754 . . . . 0.0 114.986 -176.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -48.49 -44.14 30.97 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.968 2.446 . . . . 0.0 112.467 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.8 tp -72.48 -39.19 67.89 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.969 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 96.4 mt-30 -55.57 -42.11 74.25 Favored 'General case' 0 C--O 1.244 0.816 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 27.2 mtm180 -68.52 -51.14 46.36 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.028 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CE2' HD11 ' A' ' 54' ' ' LEU . 82.3 t80 -53.66 -44.94 70.06 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.86 0.864 . . . . 0.0 110.872 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.28 -48.29 79.28 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 123.167 0.587 . . . . 0.0 111.593 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.36 82.25 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.499 0.666 . . . . 0.0 109.992 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.0 m -63.5 -47.05 83.3 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.831 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.6 mm -64.64 -39.93 87.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.224 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 45.6 mt-30 -64.18 -38.43 91.04 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.487 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.0 m -65.48 -44.36 87.34 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.428 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.07 -36.02 82.63 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -78.25 -17.14 57.08 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.18 31.81 45.98 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.26 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 17.8 t70 -143.67 101.46 3.77 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 123.013 0.525 . . . . 0.0 109.619 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -97.11 83.54 3.36 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.14 -45.66 66.33 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.169 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.55 -26.37 2.3 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 114.985 0.754 . . . . 0.0 114.985 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -87.47 -60.01 2.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 117.453 0.627 . . . . 0.0 110.095 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 m -133.22 168.0 25.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.964 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.5 tp -135.77 150.82 49.6 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 41.2 m -140.49 110.47 6.51 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.489 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -113.95 175.12 2.42 Favored 'Isoleucine or valine' 0 C--O 1.25 1.098 0 CA-C-O 121.122 0.487 . . . . 0.0 110.912 -179.286 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.461 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 65.9 mtm180 -85.65 163.98 17.96 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.21 -176.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 67.2 mt-30 -64.04 -34.43 78.0 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.91 0.862 . . . . 0.0 109.134 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.04 -34.81 78.86 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.046 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -74.54 -36.96 63.15 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.43 -30.46 71.24 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.419 0.628 . . . . 0.0 109.829 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 82.0 mtt180 -65.63 -33.4 75.82 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.043 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.476 ' O ' HG13 ' A' ' 57' ' ' ILE . 18.6 m -65.87 -39.62 90.85 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.372 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 28' ' ' TYR . 10.2 mp -60.51 -39.24 87.06 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.12 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.95 -28.63 70.21 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.579 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -79.26 -35.66 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 53' ' ' THR . 47.0 mt -62.42 -48.97 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-O 121.486 0.66 . . . . 0.0 109.972 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -91.23 -2.17 57.53 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.392 -174.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.5 t70 50.34 67.44 0.92 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.362 1.465 . . . . 0.0 111.661 -176.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -139.63 173.5 11.47 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.068 -1.424 . . . . 0.0 108.35 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.7 p -90.01 144.95 32.14 Favored Pre-proline 0 C--N 1.299 -1.63 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.55 -31.35 58.78 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.815 2.343 . . . . 0.0 112.128 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.7 t -61.81 -56.77 15.99 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.4 p -72.24 -26.02 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.495 0.664 . . . . 0.0 110.404 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.5 tm? -63.15 -49.96 72.28 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.0 m -64.45 -34.74 78.9 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.628 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.5 -48.3 77.48 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.751 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -62.44 -51.76 66.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.201 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 65' ' ' LEU . 4.4 mm? -55.71 -43.6 76.67 Favored 'General case' 0 C--O 1.249 1.026 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 77' ' ' ALA . 87.2 mt -73.22 -37.49 52.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.77 178.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -66.05 -24.42 66.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 36.3 m0 -82.92 -15.71 50.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.048 0.452 . . . . 0.0 110.169 176.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.18 15.96 80.33 Favored Glycine 0 CA--C 1.499 -0.958 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.013 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.8 m -93.19 -24.76 5.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.2 tp -111.98 149.41 32.02 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.88 143.77 43.67 Favored 'General case' 0 C--N 1.308 -1.23 0 O-C-N 123.92 0.763 . . . . 0.0 110.337 -177.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.44 ' HA ' HD13 ' A' ' 70' ' ' ILE . . . -69.94 -24.12 63.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -176.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -85.57 -27.1 25.75 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.0 0.428 . . . . 0.0 111.81 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.65 38.84 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.436 1.094 . . . . 0.0 112.823 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -64.68 -20.94 66.6 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.178 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -67.17 -20.22 65.7 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.236 0.541 . . . . 0.0 110.807 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.04 -14.65 30.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.881 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.7 t -88.93 -37.74 10.48 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.86 29.31 0.13 Allowed 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.777 -1.102 . . . . 0.0 112.583 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.6 m -81.99 -8.07 59.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.724 0.773 . . . . 0.0 109.516 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -126.5 126.94 44.57 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 106.959 -1.496 . . . . 0.0 106.959 174.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -89.75 -45.91 8.96 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.095 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 71.15 -43.91 0.57 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.189 1.395 . . . . 0.0 111.415 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.249 1.029 0 C-N-CA 124.709 1.204 . . . . 0.0 108.78 174.327 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.0 mtm . . . . . 0 C--O 1.242 0.662 0 CA-C-O 120.608 0.242 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -166.58 159.95 11.79 Favored Pre-proline 0 N--CA 1.443 -0.793 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -60.18 147.22 94.25 Favored 'Trans proline' 0 C--O 1.24 0.621 0 C-N-CA 122.635 2.224 . . . . 0.0 112.56 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.7 172.68 15.76 Favored 'Trans proline' 0 CA--C 1.545 1.052 0 C-N-CA 122.503 2.135 . . . . 0.0 110.754 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.79 112.18 1.92 Allowed 'Trans proline' 0 CA--C 1.516 -0.39 0 C-N-CA 122.11 1.874 . . . . 0.0 109.877 174.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -87.96 132.43 34.24 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 121.214 0.53 . . . . 0.0 110.325 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' A' ' 51' ' ' LEU . 2.8 mm? -89.44 97.22 11.07 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.699 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.2 t -103.65 112.73 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.023 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.7 tp -90.69 108.23 19.68 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 11.5 t70 -72.37 105.81 4.25 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.3 mt -75.83 -25.91 56.71 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.455 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -67.39 -46.63 72.68 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.9 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -70.4 -33.62 71.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.091 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -61.58 -36.59 81.09 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.667 -178.575 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.93 -9.51 52.31 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.929 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 m -104.1 -0.77 28.25 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.041 0.924 . . . . 0.0 109.463 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.4 t -88.93 136.47 30.62 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -46.06 124.13 7.07 Favored 'Trans proline' 0 C--O 1.252 1.22 0 C-N-CA 123.1 2.533 . . . . 0.0 112.416 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.96 -18.3 56.4 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.874 0.87 . . . . 0.0 111.623 -177.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.7 -27.18 66.21 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.198 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -117.18 -31.24 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.17 0.51 . . . . 0.0 110.617 177.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.74 -17.06 54.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.54 -65.55 2.54 Favored Glycine 0 CA--C 1.534 1.25 0 N-CA-C 115.217 0.847 . . . . 0.0 115.217 -176.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -68.2 -20.69 43.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 122.148 1.899 . . . . 0.0 111.707 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.0 tp -71.43 -44.87 64.03 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.686 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -65.12 -38.15 89.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.762 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 2.5 mmp_? -60.8 -47.56 85.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.548 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -55.68 -65.06 0.66 Allowed 'General case' 0 CA--C 1.498 -1.023 0 CA-C-O 121.684 0.754 . . . . 0.0 110.065 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.3 -46.17 17.89 Favored 'General case' 0 C--N 1.28 -2.453 0 CA-C-N 113.253 -1.794 . . . . 0.0 113.191 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.93 -46.37 68.41 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 122.309 -0.245 . . . . 0.0 110.934 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 31.9 m -62.63 -43.49 98.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.707 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 mm -59.1 -48.43 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.041 0 O-C-N 123.167 0.292 . . . . 0.0 110.344 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.88 -32.75 74.37 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.9 m -69.59 -39.4 77.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.014 0.435 . . . . 0.0 110.08 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 31' ' ' THR . 28.1 mm-40 -71.94 -35.52 69.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 109.85 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . 5.5 mmm180 -73.0 -27.7 61.93 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.748 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.78 -41.62 2.99 Favored Glycine 0 C--N 1.307 -1.052 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.428 ' OD1' ' HB3' ' A' ' 36' ' ' ARG . 11.8 p-10 -85.55 98.87 10.88 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 122.319 1.057 . . . . 0.0 112.259 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -93.72 107.14 19.05 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -72.84 -51.79 17.43 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.79 -46.37 2.51 Favored Glycine 0 N--CA 1.439 -1.163 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.986 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -74.52 -53.87 8.63 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 121.692 0.758 . . . . 0.0 109.934 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.6 m -138.13 174.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.2 tp -143.89 124.51 14.07 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.3 t -101.33 111.57 23.83 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.531 ' HB ' ' CB ' ' A' ' 50' ' ' ASP . 33.3 pt -110.69 164.41 6.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.259 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -78.42 174.35 11.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.902 0.382 . . . . 0.0 110.363 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -68.41 -31.73 71.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 174.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.45 -37.45 87.57 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.926 -1.488 . . . . 0.0 110.724 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.531 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 9.2 m-20 -69.39 -38.7 78.09 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.083 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 44.8 tp -55.83 -43.18 76.73 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.503 0.668 . . . . 0.0 109.885 177.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' O ' HG23 ' A' ' 56' ' ' VAL . 79.6 mtp180 -66.05 -35.03 79.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.641 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.462 ' O ' HG13 ' A' ' 57' ' ' ILE . 87.7 m -61.96 -41.37 97.91 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.626 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.7 mp -55.15 -45.49 75.68 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.17 0.51 . . . . 0.0 110.592 176.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -33.83 75.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.361 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 52' ' ' ARG . 59.4 t -70.85 -34.91 57.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.349 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 53' ' ' THR . 49.5 mt -61.18 -44.29 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.571 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.502 ' HB2' ' HG2' ' A' ' 60' ' ' GLN . 4.7 m-85 -96.36 -3.27 44.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.222 -173.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 55.85 64.78 1.63 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.924 1.345 . . . . 0.0 109.914 -172.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.502 ' HG2' ' HB2' ' A' ' 58' ' ' TYR . 28.0 mm-40 -124.71 156.98 36.75 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 113.693 -1.594 . . . . 0.0 108.31 -179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 m -87.23 131.56 44.05 Favored Pre-proline 0 C--N 1.28 -2.454 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 176.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -46.35 -33.36 12.3 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 123.954 3.103 . . . . 0.0 114.474 -176.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.642 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 24.1 m -57.9 -49.99 74.85 Favored 'General case' 0 C--O 1.204 -1.304 0 O-C-N 123.439 0.462 . . . . 0.0 110.745 177.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.69 -29.51 23.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.329 0.585 . . . . 0.0 109.681 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.82 -44.8 93.84 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.801 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.467 ' O ' HG13 ' A' ' 70' ' ' ILE . 13.3 p -67.24 -41.96 84.76 Favored 'General case' 0 N--CA 1.408 -2.566 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.684 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 63' ' ' SER . 4.6 mm-40 -59.51 -41.85 90.84 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 123.909 0.755 . . . . 0.0 109.873 -177.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -55.77 -55.6 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.054 0.542 . . . . 0.0 110.832 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD23 ' CZ3' ' A' ' 72' ' ' TRP . 92.3 mt -61.75 -36.23 80.4 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.81 -177.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 66' ' ' THR . 80.6 mt -67.84 -43.64 85.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.1 m -66.36 -28.06 68.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.263 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.501 ' CZ3' HD23 ' A' ' 69' ' ' LEU . 40.3 m0 -80.46 -16.62 53.91 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.614 0.721 . . . . 0.0 109.665 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.28 23.68 31.17 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.746 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.72 -47.25 12.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-O 121.196 0.522 . . . . 0.0 110.603 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 36.0 tp -109.44 159.06 17.35 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.572 -175.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -100.86 156.31 17.44 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.0 -20.1 65.66 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.358 0.663 . . . . 0.0 111.985 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -57.03 -34.58 68.34 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.568 0.747 . . . . 0.0 110.629 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.66 -24.75 67.92 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.109 -0.95 . . . . 0.0 113.019 -177.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.4 mtp-105 -63.88 -23.6 67.41 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.128 0.489 . . . . 0.0 110.314 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -67.14 -13.57 62.08 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.955 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.31 -13.96 31.65 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.08 0.467 . . . . 0.0 111.046 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.3 t -99.36 -42.19 10.43 Favored 'Isoleucine or valine' 0 C--O 1.246 0.87 0 CA-C-O 121.418 0.628 . . . . 0.0 109.756 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -136.54 153.79 50.9 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.6 p 57.42 30.15 18.12 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.534 1.133 . . . . 0.0 112.515 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -77.18 148.19 36.05 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -117.55 177.54 4.71 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.635 -176.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -99.14 101.41 12.74 Favored 'General case' 0 N--CA 1.423 -1.779 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.518 ' H ' HD23 ' A' ' 89' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.294 -1.811 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.161 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 CA--C 1.5 -0.959 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -130.18 142.1 44.23 Favored Pre-proline 0 C--N 1.304 -1.393 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -65.01 146.43 87.46 Favored 'Trans proline' 0 C--O 1.245 0.836 0 C-N-CA 122.207 1.938 . . . . 0.0 110.227 175.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 11.9 Cg_endo -54.6 114.92 2.06 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 123.464 2.776 . . . . 0.0 112.439 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 11.5 Cg_exo -72.46 144.83 41.38 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.399 2.066 . . . . 0.0 111.844 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -112.03 132.61 54.7 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 175.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.4 mt -92.3 115.99 28.57 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.948 -172.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.1 t -93.79 114.05 29.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.156 -177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.2 tp -101.9 124.13 47.0 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -91.09 113.91 26.3 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.7 mt -80.18 -19.41 47.16 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.748 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -80.77 -41.46 23.41 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.968 0.89 . . . . 0.0 108.685 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -64.74 -38.63 91.63 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.508 -1.223 . . . . 0.0 107.759 176.449 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.6 -28.76 69.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.223 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.51 -12.25 60.0 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -97.53 -1.46 43.95 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-O 121.845 0.831 . . . . 0.0 108.993 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.6 t -97.67 128.57 33.91 Favored Pre-proline 0 C--N 1.313 -1.002 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -36.76 130.98 0.45 Allowed 'Trans proline' 0 C--O 1.254 1.29 0 C-N-CA 124.631 3.554 . . . . 0.0 113.864 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.7 -18.69 55.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.433 -176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -63.78 -35.85 81.95 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.323 0.582 . . . . 0.0 109.566 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -98.85 -46.18 5.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.449 0.642 . . . . 0.0 109.734 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.15 -8.98 58.36 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.61 -66.72 2.61 Favored Glycine 0 N--CA 1.472 1.066 0 N-CA-C 114.192 0.437 . . . . 0.0 114.192 -176.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.89 -24.36 74.26 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.361 2.041 . . . . 0.0 111.986 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 23.0 tp -71.43 -46.29 60.46 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -62.76 -38.96 92.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.408 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -60.76 -47.61 85.54 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.816 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -71.4 -34.17 70.13 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.006 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.79 95.84 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.59 0.356 . . . . 0.0 110.496 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.22 92.33 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.59 0.709 . . . . 0.0 109.725 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.6 m -63.41 -40.27 96.73 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.302 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.51 -40.21 87.48 Favored 'Isoleucine or valine' 0 C--O 1.246 0.903 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.516 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.26 -39.26 89.7 Favored 'General case' 0 C--O 1.208 -1.111 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.551 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.6 t -62.52 -43.14 99.54 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -56.99 -50.22 73.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.244 0.545 . . . . 0.0 111.02 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -79.96 -10.65 59.79 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.3 34.74 90.73 Favored Glycine 0 CA--C 1.516 0.145 0 N-CA-C 108.701 -1.759 . . . . 0.0 108.701 -172.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -85.81 149.3 25.35 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.426 -0.887 . . . . 0.0 110.465 -172.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -136.04 20.93 3.24 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.94 -173.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -73.71 -65.92 0.77 Allowed 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.758 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.12 -16.02 18.86 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.354 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -98.48 -62.3 1.26 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.052 0.453 . . . . 0.0 109.977 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.39 140.26 46.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.3 tp -120.88 127.36 51.8 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.1 t -95.4 118.9 32.97 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.3 pt -124.83 167.61 18.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.709 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -111.94 175.38 5.45 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.333 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -65.91 -30.9 71.57 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -69.28 -27.13 65.14 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -73.43 -57.07 4.26 Favored 'General case' 0 CA--C 1.485 -1.525 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.407 HD23 HG21 ' A' ' 83' ' ' VAL . 22.3 tp -57.46 -35.5 70.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.118 -174.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -65.37 -29.8 70.55 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.082 0.467 . . . . 0.0 110.75 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.461 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.1 m -72.21 -37.15 69.28 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.584 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.43 -34.0 75.91 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.312 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.04 86.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.92 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.81 -37.44 78.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.867 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 53' ' ' THR . 44.3 mt -65.82 -42.56 92.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.661 -178.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 6.0 m-85 -90.62 -1.45 57.88 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.083 0.468 . . . . 0.0 110.787 -175.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 68.75 48.61 0.76 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.783 1.233 . . . . 0.0 110.876 174.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -134.08 156.67 47.84 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.915 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.0 m -76.58 143.28 71.74 Favored Pre-proline 0 C--N 1.302 -1.458 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -42.47 -40.83 7.56 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 124.142 3.228 . . . . 0.0 114.408 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.6 p -60.4 -52.99 62.88 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-O 121.162 0.506 . . . . 0.0 111.267 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.03 -44.23 97.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 C-N-CA 123.735 0.814 . . . . 0.0 109.421 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.433 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.4 tm? -56.46 -45.66 80.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.747 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.2 m -59.1 -46.2 88.91 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.799 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -64.92 -39.36 93.39 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.739 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -57.14 -53.43 58.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 65' ' ' LEU . 4.1 mm? -58.04 -41.88 84.19 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.77 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 93.4 mt -71.14 -35.11 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.9 m -65.77 -33.43 75.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.624 0.249 . . . . 0.0 110.939 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -78.5 -13.28 59.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.03 0.443 . . . . 0.0 110.599 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.26 19.18 79.57 Favored Glycine 0 CA--C 1.505 -0.575 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.975 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.8 m -96.0 -25.48 4.38 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.31 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 69' ' ' LEU . 48.0 tp -111.84 135.38 52.53 Favored 'General case' 0 N--CA 1.422 -1.875 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 177.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -63.37 129.87 42.06 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 123.919 0.762 . . . . 0.0 109.674 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.11 -36.21 18.29 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 124.283 1.033 . . . . 0.0 112.545 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -53.83 -23.98 14.09 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.427 1.091 . . . . 0.0 112.935 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.01 -25.52 58.68 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.179 0.592 . . . . 0.0 112.114 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -23.54 66.62 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.872 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -72.46 -41.96 65.51 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.088 0.471 . . . . 0.0 111.263 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.38 -39.58 67.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.246 -175.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.407 HG21 HD23 ' A' ' 51' ' ' LEU . 41.3 t -84.06 -55.82 6.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.438 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 65.76 172.86 0.23 Allowed 'General case' 0 C--O 1.246 0.881 0 C-N-CA 124.647 1.179 . . . . 0.0 111.756 -176.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -128.62 5.34 5.59 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 121.581 0.705 . . . . 0.0 109.989 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -114.89 139.8 49.49 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.3 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -126.75 145.67 50.52 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.119 0.485 . . . . 0.0 111.689 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -142.87 -42.24 0.31 Allowed 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.302 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 C--O 1.254 1.297 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 174.903 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptm . . . . . 0 CA--C 1.503 -0.85 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.592 ' O ' ' HD2' ' A' ' 5' ' ' PRO . 39.3 mt-10 -96.5 131.95 27.36 Favored Pre-proline 0 N--CA 1.431 -1.398 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -56.42 -44.74 43.09 Favored 'Trans proline' 0 CA--C 1.568 2.186 0 C-N-CA 123.534 2.823 . . . . 0.0 116.02 176.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -42.14 -49.39 5.93 Favored 'Trans proline' 0 C--N 1.404 3.474 0 C-N-CA 122.528 2.152 . . . . 0.0 115.49 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.592 ' HD2' ' O ' ' A' ' 2' ' ' GLU . 54.3 Cg_exo -63.02 72.7 0.12 Allowed 'Trans proline' 0 C--N 1.384 2.415 0 C-N-CA 122.562 2.175 . . . . 0.0 114.125 173.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -93.38 122.75 36.12 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 174.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.9 mt -108.21 114.64 28.67 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.85 126.11 64.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 CA-C-O 121.356 0.598 . . . . 0.0 111.585 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.1 mt -106.64 123.15 47.69 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.617 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.15 104.02 8.46 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 173.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.39 -26.84 64.84 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.295 0.569 . . . . 0.0 110.465 -178.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.86 -37.55 81.99 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.119 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -75.21 -34.4 61.48 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.92 -31.3 72.35 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.686 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.2 -7.34 53.58 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.234 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -92.38 -13.93 29.41 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 122.116 0.96 . . . . 0.0 108.73 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.9 t -84.22 137.3 39.9 Favored Pre-proline 0 C--N 1.312 -1.04 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.8 135.41 13.6 Favored 'Trans proline' 0 C--N 1.363 1.333 0 C-N-CA 123.34 2.693 . . . . 0.0 112.119 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.16 -18.81 62.05 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 123.656 0.782 . . . . 0.0 112.566 -174.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.42 -40.22 90.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.938 0.399 . . . . 0.0 110.192 175.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -99.51 -35.33 9.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.769 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.37 -35.62 73.63 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.871 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.58 -56.43 22.24 Favored Glycine 0 CA--C 1.534 1.273 0 CA-C-O 119.537 -0.591 . . . . 0.0 114.28 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.65 -30.52 66.42 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 122.84 2.36 . . . . 0.0 112.683 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -83.68 -35.24 24.67 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.864 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 12.7 mm-40 -63.09 -32.78 74.24 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-O 120.806 0.336 . . . . 0.0 110.958 175.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -61.19 -40.17 92.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.231 0.539 . . . . 0.0 111.139 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.504 ' O ' HG12 ' A' ' 32' ' ' ILE . 51.4 t80 -72.25 -44.47 62.81 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -59.85 -43.74 94.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.93 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.77 84.16 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.653 0.74 . . . . 0.0 110.184 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.426 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 75.2 m -69.77 -41.95 74.46 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.277 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 28' ' ' TYR . 51.7 mm -60.2 -46.33 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 98.2 mt-30 -53.34 -56.48 16.39 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.229 0.538 . . . . 0.0 110.396 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.0 p -66.32 -39.11 89.06 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 31' ' ' THR . 80.6 mm-40 -69.51 -30.29 68.11 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 42.5 mtm180 -83.9 -21.62 31.86 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.57 19.27 68.85 Favored Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -176.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -124.37 118.32 26.45 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 123.391 0.676 . . . . 0.0 109.892 -174.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -97.9 104.84 16.91 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -128.25 119.65 25.59 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.95 16.37 23.11 Favored Glycine 0 C--N 1.304 -1.223 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.407 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -60.74 1.47 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.189 0.519 . . . . 0.0 109.936 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 m -136.28 152.9 30.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 tp -134.27 113.33 11.85 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.1 p -93.39 107.44 19.27 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-O 121.753 0.787 . . . . 0.0 110.058 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 pt -104.23 -179.58 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.552 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.74 -175.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -100.72 169.08 9.26 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.78 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -60.69 -30.03 69.68 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.471 175.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.61 -30.96 64.79 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.932 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 51.3 m-20 -70.19 -47.34 61.96 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.745 -177.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 tp -63.1 -35.99 82.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.425 0.631 . . . . 0.0 109.776 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -64.16 -44.57 91.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.137 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.545 ' O ' HG13 ' A' ' 57' ' ' ILE . 91.7 m -62.81 -38.63 91.46 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.082 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 50' ' ' ASP . 87.6 mt -57.17 -44.9 83.95 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.161 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.09 70.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.987 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.7 t -73.24 -41.21 58.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.929 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 53' ' ' THR . 39.4 mt -62.77 -51.11 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 121.164 0.507 . . . . 0.0 110.619 -178.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -83.49 -10.5 58.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.365 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.5 t70 62.9 59.06 1.42 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.785 1.234 . . . . 0.0 110.133 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -129.99 148.08 51.81 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.121 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m -69.84 142.13 90.59 Favored Pre-proline 0 C--N 1.301 -1.511 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -43.95 -45.54 11.48 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 124.015 3.143 . . . . 0.0 114.527 -176.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.492 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 44.5 t -62.82 -57.1 12.06 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.866 -0.111 . . . . 0.0 111.032 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.435 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 34.3 m -65.44 -33.84 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -176.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.52 -46.53 89.55 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 m -66.41 -37.8 86.03 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.676 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 63' ' ' SER . 38.5 mt-10 -57.64 -45.03 86.0 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.356 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.453 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -53.72 -59.82 4.12 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 123.849 0.718 . . . . 0.0 109.742 178.366 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.3 -40.81 78.6 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 98.7 mt -67.1 -41.86 87.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.97 0.414 . . . . 0.0 110.725 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.3 m -70.0 -32.77 71.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.462 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -72.48 -17.49 61.76 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.24 12.68 78.48 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.5 t -83.4 -38.89 14.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.511 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 48.9 tp -118.43 156.08 29.65 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -106.28 175.07 5.62 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.794 -1.162 . . . . 0.0 109.806 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -61.69 -42.76 99.36 Favored 'General case' 0 C--O 1.207 -1.141 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -171.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -47.27 -25.96 1.09 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.006 1.322 . . . . 0.0 114.058 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.41 ' O ' HG22 ' A' ' 83' ' ' VAL . . . -59.42 -31.88 69.68 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.574 0.349 . . . . 0.0 111.767 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 7.3 ptm180 -69.81 -27.92 65.28 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 121.2 0.524 . . . . 0.0 109.725 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -79.65 -39.25 31.86 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 5' ' ' PRO . . . -60.59 -37.64 82.03 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.308 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 79' ' ' ALA . 33.3 m -99.26 11.55 6.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 178.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 56.17 28.26 12.84 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.165 0.986 . . . . 0.0 112.696 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.8 m -121.57 83.8 2.14 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -93.98 -60.29 1.78 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -130.76 -39.09 1.26 Allowed 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.717 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -96.74 152.48 18.63 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.46 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 C--N 1.3 -1.546 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.086 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 mtt . . . . . 0 CA--C 1.5 -0.98 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.83 117.07 58.1 Favored Pre-proline 0 C--O 1.243 0.755 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 25.2 Cg_exo -68.9 120.88 7.74 Favored 'Trans proline' 0 C--O 1.252 1.201 0 C-N-CA 122.699 2.266 . . . . 0.0 111.08 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 9.8 Cg_exo -73.01 149.83 47.52 Favored 'Trans proline' 0 C--O 1.243 0.731 0 C-N-CA 122.656 2.237 . . . . 0.0 110.149 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.0 114.53 1.3 Allowed 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 123.694 2.93 . . . . 0.0 113.334 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -82.88 124.55 30.44 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.1 108.95 20.21 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 60.9 t -89.39 112.99 25.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.367 -176.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.8 tp -94.6 104.73 16.67 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.01 107.36 8.16 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -75.6 -28.82 59.05 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.391 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -63.88 -44.67 92.34 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.955 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -70.06 -47.75 60.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.585 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 tp -55.14 -41.52 71.87 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.702 0.801 . . . . 0.0 112.264 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.72 -17.3 64.78 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.0 m -91.52 -16.73 26.76 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-O 121.428 0.633 . . . . 0.0 110.491 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -77.96 129.92 74.48 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -44.6 139.59 7.04 Favored 'Trans proline' 0 C--N 1.366 1.45 0 C-N-CA 123.942 3.094 . . . . 0.0 113.998 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.18 -26.23 62.52 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 124.489 1.116 . . . . 0.0 112.062 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.11 -21.93 66.73 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.791 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -111.17 -52.65 2.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.903 0.382 . . . . 0.0 110.541 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.36 2.13 33.59 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -172.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.95 -60.81 8.25 Favored Glycine 0 N--CA 1.474 1.185 0 N-CA-C 114.448 0.539 . . . . 0.0 114.448 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.87 -22.37 63.29 Favored 'Trans proline' 0 C--O 1.244 0.811 0 C-N-CA 121.85 1.7 . . . . 0.0 111.635 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.0 tp -75.44 -41.51 55.65 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.853 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -62.74 -40.67 97.96 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -60.64 -50.06 75.03 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.224 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.451 ' O ' HG13 ' A' ' 32' ' ' ILE . 3.3 t80 -62.56 -45.16 94.19 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.739 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.35 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.866 0.467 . . . . 0.0 111.244 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.57 71.51 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.202 0.525 . . . . 0.0 110.429 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.416 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 41.1 m -71.85 -40.55 68.96 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.427 -0.806 . . . . 0.0 108.983 177.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 28' ' ' TYR . 62.5 mt -61.7 -41.46 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 176.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.82 -42.09 88.36 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.669 176.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.4 t -64.72 -44.73 89.24 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 31' ' ' THR . 96.1 mt-30 -64.43 -24.05 67.49 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.217 0.607 . . . . 0.0 111.381 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -95.11 -19.66 19.94 Favored 'General case' 0 C--N 1.313 -0.983 0 O-C-N 122.19 -0.319 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.78 40.01 58.88 Favored Glycine 0 C--O 1.238 0.374 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -89.87 142.76 27.39 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.277 -0.961 . . . . 0.0 111.82 -174.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -138.51 10.85 2.73 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.752 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -120.87 46.06 2.11 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.601 1.191 . . . . 0.0 108.052 -174.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.25 54.39 3.56 Favored Glycine 0 N--CA 1.434 -1.498 0 CA-C-N 114.348 -1.296 . . . . 0.0 115.58 -175.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -85.45 -44.38 12.79 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.33 144.75 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.833 0 CA-C-N 113.65 -1.614 . . . . 0.0 106.902 174.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.9 tp -125.19 124.1 41.02 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -84.32 107.28 16.52 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.7 pt -98.57 171.42 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.62 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.515 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -103.57 167.2 9.95 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -174.263 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -64.1 -49.14 73.41 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 10.6 t70 -67.66 -26.89 66.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.142 177.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.433 ' HB2' ' HB2' ' A' ' 47' ' ' ARG . 2.6 t70 -68.73 -46.97 67.51 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.56 -34.84 76.53 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.842 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.488 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 75.4 ttt180 -53.78 -43.95 69.69 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.274 1.029 . . . . 0.0 109.087 173.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.7 m -67.09 -49.93 63.35 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.234 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.07 -45.87 82.92 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.789 0.835 . . . . 0.0 113.036 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.41 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . . . -53.59 -39.86 65.2 Favored 'General case' 0 C--O 1.246 0.877 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.83 -32.78 56.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.399 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.44 -32.2 57.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.123 0.487 . . . . 0.0 109.93 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -101.06 7.5 43.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 -174.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 60.98 28.95 18.71 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.666 0.786 . . . . 0.0 111.649 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -103.26 139.24 38.97 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.613 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.5 t -65.74 135.52 95.57 Favored Pre-proline 0 N--CA 1.424 -1.761 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 172.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -49.57 -40.32 45.94 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.27 2.647 . . . . 0.0 112.135 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 m -60.3 -45.56 92.94 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.419 0.687 . . . . 0.0 110.421 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.5 t -74.88 -46.73 39.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.695 -177.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.41 ' HG ' ' HA ' ' A' ' 55' ' ' ALA . 3.2 tm? -55.81 -53.86 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.414 0.686 . . . . 0.0 110.533 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.465 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.3 m -58.37 -45.91 87.35 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.483 0.489 . . . . 0.0 110.812 -178.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.92 -28.36 65.53 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -61.05 -54.3 46.46 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.19 -41.17 87.88 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.433 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 66' ' ' THR . 91.9 mt -61.28 -46.15 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 176.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -65.67 -34.08 77.38 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -70.24 -16.97 63.11 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.977 0.894 . . . . 0.0 109.864 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.43 35.98 6.74 Favored Glycine 0 CA--C 1.483 -1.93 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.4 t -93.4 -48.06 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 CA-C-N 114.647 -0.776 . . . . 0.0 110.175 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.431 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 2.5 pt? -131.92 173.76 10.86 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.33 156.08 33.63 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.881 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.46 -12.89 60.95 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 124.168 0.987 . . . . 0.0 113.545 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.439 ' HA ' ' NH2' ' A' ' 81' ' ' ARG . 26.9 t70 -70.25 -19.61 63.11 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.01 0.524 . . . . 0.0 111.961 -177.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' HB3' HD11 ' A' ' 70' ' ' ILE . . . -44.48 -25.4 0.26 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -176.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -59.72 -29.88 68.43 Favored 'General case' 0 C--O 1.246 0.911 0 O-C-N 122.227 -0.296 . . . . 0.0 110.415 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' NH2' ' HA ' ' A' ' 78' ' ' ASP . 2.8 mpp_? -63.05 -22.99 67.24 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.28 -33.96 69.99 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.214 0.531 . . . . 0.0 110.703 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.7 t -104.54 -30.97 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.98 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.93 -15.86 52.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -175.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 t -65.74 -36.85 84.75 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.652 0.739 . . . . 0.0 109.026 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -112.74 62.88 0.63 Allowed 'General case' 0 N--CA 1.428 -1.575 0 CA-C-O 122.628 1.204 . . . . 0.0 109.28 177.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -76.7 103.69 6.8 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -130.52 -176.88 4.11 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.069 -171.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--N 1.307 -1.252 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 176.713 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.1 mmm . . . . . 0 CA--C 1.487 -1.447 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -79.34 122.06 83.61 Favored Pre-proline 0 N--CA 1.431 -1.404 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 175.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.46 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 30.6 Cg_endo -61.51 113.36 1.77 Allowed 'Trans proline' 0 C--O 1.246 0.9 0 C-N-CA 123.228 2.619 . . . . 0.0 114.463 -172.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -89.87 105.08 0.35 Allowed 'Trans proline' 0 N--CA 1.444 -1.39 0 C-N-CA 123.074 2.516 . . . . 0.0 110.116 175.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 3' ' ' PRO . 14.0 Cg_exo -70.45 125.3 11.64 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.574 2.183 . . . . 0.0 113.195 -177.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -90.0 139.72 30.33 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 173.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.5 mt -98.38 118.07 34.23 Favored 'General case' 0 C--N 1.286 -2.16 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -89.25 112.7 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.585 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.6 tp -93.84 121.98 35.85 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -81.52 109.2 15.75 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 41' ' ' GLY . 76.4 mt -80.02 -17.56 52.48 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.677 -175.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.26 -43.08 64.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.2 mmm180 -65.63 -39.63 91.67 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.367 174.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.54 -32.71 74.25 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.378 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.5 -22.73 54.1 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.543 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.41 -25.59 20.31 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.964 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 13' ' ' ARG . 96.9 t -68.12 129.24 93.11 Favored Pre-proline 0 C--O 1.241 0.639 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -45.93 137.94 12.54 Favored 'Trans proline' 0 C--O 1.261 1.648 0 C-N-CA 123.61 2.873 . . . . 0.0 113.664 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.28 -17.3 52.88 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.881 1.273 . . . . 0.0 111.847 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -50.1 -44.93 52.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -106.12 -49.4 3.38 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.387 -174.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.55 -7.52 57.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.77 -65.09 3.67 Favored Glycine 0 N--CA 1.473 1.119 0 N-CA-C 114.271 0.468 . . . . 0.0 114.271 -175.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -60.15 -26.13 81.73 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.575 2.183 . . . . 0.0 112.41 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.71 -39.11 67.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.915 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.79 -38.17 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.277 0.56 . . . . 0.0 109.516 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -70.95 -37.66 72.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.728 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CE2' HD11 ' A' ' 32' ' ' ILE . 84.7 t80 -59.28 -46.4 88.64 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -61.6 -46.62 89.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.244 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.1 72.71 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.303 0.641 . . . . 0.0 110.813 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 85.6 m -63.32 -45.47 91.14 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.907 177.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.543 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 56.2 mt -63.25 -49.31 83.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 77.0 mt-30 -51.7 -53.8 35.2 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.91 0.884 . . . . 0.0 111.498 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 p -63.16 -37.76 88.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.559 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 31' ' ' THR . 28.2 mt-30 -65.96 -41.88 90.68 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 120.592 0.235 . . . . 0.0 110.878 178.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 22.9 mmt180 -77.15 -21.12 54.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.306 0.574 . . . . 0.0 110.492 -177.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.17 23.15 66.59 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -113.03 112.16 23.4 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 115.145 -0.528 . . . . 0.0 110.966 -176.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -100.97 71.91 1.45 Allowed 'General case' 0 N--CA 1.424 -1.771 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 172.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -78.95 -37.93 38.37 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 113.922 -1.49 . . . . 0.0 109.07 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . 68.54 -45.63 0.38 Allowed Glycine 0 C--O 1.21 -1.405 0 N-CA-C 117.943 1.937 . . . . 0.0 117.943 166.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.8 -37.9 67.4 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 117.77 0.785 . . . . 0.0 112.271 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.7 m -144.85 173.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.5 tp -151.09 140.63 21.59 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -95.73 111.46 23.4 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 pt -115.49 161.53 14.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -91.37 169.33 10.89 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 49.2 mt-30 -67.46 -29.7 69.23 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.038 0.923 . . . . 0.0 108.519 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.22 -28.57 62.24 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.276 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.502 ' O ' HD13 ' A' ' 54' ' ' LEU . 11.7 m-20 -63.4 -44.53 94.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 174.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -53.71 -44.4 69.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.177 0.991 . . . . 0.0 109.284 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 43.4 mtp-105 -66.24 -35.38 80.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.073 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.452 ' O ' HG13 ' A' ' 57' ' ' ILE . 31.1 m -69.08 -39.87 78.8 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.079 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 50' ' ' ASP . 8.0 mp -54.05 -43.35 70.15 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.298 0.639 . . . . 0.0 111.317 176.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.89 -36.78 75.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.959 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.93 -42.45 79.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 53' ' ' THR . 42.5 mt -61.92 -48.25 89.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.17 -177.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -90.86 3.81 53.48 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.684 -0.407 . . . . 0.0 111.323 -173.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 57.37 62.52 2.14 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.93 0.892 . . . . 0.0 110.737 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -135.8 171.05 15.02 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.619 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.3 m -92.04 144.36 29.05 Favored Pre-proline 0 C--N 1.296 -1.728 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -51.79 -38.13 66.73 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.862 2.375 . . . . 0.0 112.228 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 5.9 m -58.11 -57.28 13.53 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.681 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.48 -27.15 35.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 121.037 0.446 . . . . 0.0 110.761 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 1.9 tm? -66.17 -40.49 90.54 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 m -67.44 -43.36 81.33 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 63' ' ' SER . 46.1 mt-10 -55.86 -51.61 66.92 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.155 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -57.17 -53.37 58.83 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 123.695 0.622 . . . . 0.0 111.281 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 65' ' ' LEU . 22.8 mt -61.04 -40.97 95.63 Favored 'General case' 0 C--O 1.249 1.06 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.65 -39.5 83.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-O 120.59 0.233 . . . . 0.0 110.455 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.4 m -68.72 -33.95 74.8 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -76.26 -17.54 59.43 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.34 0.59 . . . . 0.0 109.786 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.54 7.27 72.3 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.847 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.472 HG12 ' CB ' ' A' ' 13' ' ' ARG . 23.3 m -81.07 -19.23 11.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.135 0.493 . . . . 0.0 109.72 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.1 tp -129.83 146.09 51.57 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -77.96 151.29 33.75 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -59.9 -31.42 69.79 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.67 -20.76 36.01 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 118.246 0.475 . . . . 0.0 112.21 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.62 -29.84 71.03 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.031 -0.532 . . . . 0.0 112.095 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 7.5 ptm180 -60.9 -34.84 75.28 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.813 0.816 . . . . 0.0 109.968 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -84.25 -42.52 15.79 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.029 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.54 -53.27 54.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.134 -0.939 . . . . 0.0 112.026 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.8 t -77.45 -14.3 14.3 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 CA-C-O 121.208 0.528 . . . . 0.0 110.182 -176.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 64.16 68.67 0.55 Allowed 'General case' 0 C--O 1.243 0.716 0 C-N-CA 124.393 1.077 . . . . 0.0 110.577 -178.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.41 ' HB2' ' HA ' ' A' ' 63' ' ' SER . 2.9 p -138.57 121.35 16.46 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.842 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -94.0 143.9 25.94 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 -177.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -76.65 117.62 18.47 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -145.98 100.03 3.34 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.696 -174.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 C--N 1.304 -1.391 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 175.689 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtm . . . . . 0 CA--C 1.504 -0.817 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -164.58 114.61 0.91 Allowed Pre-proline 0 N--CA 1.434 -1.263 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 63.8 Cg_endo -78.98 140.49 16.02 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 121.895 1.73 . . . . 0.0 111.821 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 13.6 Cg_exo -73.05 103.67 1.64 Allowed 'Trans proline' 0 C--O 1.241 0.626 0 C-N-CA 122.135 1.89 . . . . 0.0 108.226 170.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -91.96 127.02 0.94 Allowed 'Trans proline' 0 N--CA 1.438 -1.787 0 C-N-CA 122.329 2.02 . . . . 0.0 116.393 -167.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 36.3 mtmm -115.73 99.4 7.28 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 169.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.12 114.91 11.82 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.663 -175.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.5 t -89.47 122.69 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.292 -177.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.4 mt -106.89 127.07 53.11 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.568 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -79.32 115.26 18.86 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.5 mt -80.37 -25.47 39.14 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -174.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -79.18 -34.8 42.71 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.132 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.2 tpp180 -65.89 -38.48 88.87 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.5 tp -57.62 -40.31 78.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.773 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.65 -21.55 63.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.959 0.409 . . . . 0.0 111.566 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.9 p -94.36 10.41 34.4 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.369 0.604 . . . . 0.0 111.666 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 13' ' ' ARG . 94.3 t -101.13 136.0 19.8 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -38.42 134.86 0.75 Allowed 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 124.781 3.654 . . . . 0.0 114.365 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.14 -22.94 63.48 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.335 1.054 . . . . 0.0 112.789 -176.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.77 -33.39 74.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.618 0.723 . . . . 0.0 110.274 177.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -97.85 -53.8 3.29 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.495 -176.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -91.97 -8.72 45.38 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.16 -58.92 10.94 Favored Glycine 0 N--CA 1.47 0.955 0 O-C-N 123.423 0.452 . . . . 0.0 112.973 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -58.0 -34.12 98.03 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.162 1.908 . . . . 0.0 111.752 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.5 tp -71.94 -28.7 63.63 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.724 -177.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 72.9 mm-40 -58.43 -48.06 81.92 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 175.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -62.21 -51.08 69.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.791 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.49 ' CE2' HD11 ' A' ' 32' ' ' ILE . 84.0 t80 -54.53 -53.84 49.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.793 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.64 99.16 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.446 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.2 77.57 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.989 0.423 . . . . 0.0 111.054 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.6 m -66.91 -44.04 81.78 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.776 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.49 HD11 ' CE2' ' A' ' 28' ' ' TYR . 74.2 mt -56.52 -47.72 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 O-C-N 123.462 0.476 . . . . 0.0 109.725 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -59.46 -57.06 14.64 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.381 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -53.86 -42.89 69.07 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.063 0.945 . . . . 0.0 111.804 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -67.31 -34.02 76.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.903 0.383 . . . . 0.0 111.989 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -91.24 7.02 42.82 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.31 9.09 48.67 Favored Glycine 0 C--N 1.32 -0.333 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.551 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 78.49 139.47 0.07 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.5 1.52 . . . . 0.0 112.428 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -134.6 -177.03 4.42 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.88 -177.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 42' ' ' LYS . 88.1 m-20 -71.35 116.96 12.29 Favored 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.85 21.75 0.59 Allowed Glycine 0 C--N 1.296 -1.682 0 CA-C-N 115.414 -0.812 . . . . 0.0 114.529 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 40' ' ' ASN . 50.8 mtmt -100.58 -49.55 4.17 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 123.631 0.772 . . . . 0.0 109.723 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.4 m -140.49 142.82 30.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.323 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 53.8 tp -122.54 154.86 37.33 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' A' ' 6' ' ' LYS . 20.2 m -135.36 127.78 30.43 Favored 'General case' 0 C--N 1.31 -1.146 0 O-C-N 122.034 -0.417 . . . . 0.0 110.781 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 pp -137.97 176.49 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 122.824 0.45 . . . . 0.0 111.334 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -94.74 167.61 11.34 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.584 0.707 . . . . 0.0 112.111 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -57.34 -38.06 73.54 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.587 -1.188 . . . . 0.0 113.174 -175.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -76.46 -23.72 53.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.631 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -77.17 -42.85 36.04 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.5 tp -64.43 -28.6 69.79 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.203 0.525 . . . . 0.0 110.941 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -67.31 -22.23 65.63 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.95 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.555 ' O ' HG13 ' A' ' 57' ' ' ILE . 22.9 m -61.48 -31.85 71.84 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.595 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.44 -34.86 76.13 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.027 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.19 -33.6 76.39 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.589 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.6 t -75.26 -38.5 41.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.23 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 53' ' ' THR . 48.6 mt -61.54 -50.69 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.793 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.0 -1.83 58.23 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.317 -175.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 53.54 66.16 1.31 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.491 1.138 . . . . 0.0 111.808 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -142.54 167.3 22.41 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 113.774 -1.557 . . . . 0.0 108.212 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.0 t -83.59 147.85 53.5 Favored Pre-proline 0 C--N 1.303 -1.428 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.86 -29.98 45.59 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 123.172 2.581 . . . . 0.0 112.156 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m -56.59 -45.95 81.11 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.189 0.996 . . . . 0.0 112.139 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.5 -28.11 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.216 0.531 . . . . 0.0 109.978 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -64.4 -54.77 27.49 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.052 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 t -63.3 -34.66 78.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.94 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.45 -37.28 86.97 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.852 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -63.88 -54.25 37.74 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 110.617 -0.142 . . . . 0.0 110.617 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.03 -41.39 71.29 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 123.396 0.435 . . . . 0.0 111.974 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.9 mt -72.23 -37.5 59.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.596 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.5 p -68.81 -28.45 66.76 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.811 -0.555 . . . . 0.0 112.001 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.7 m0 -80.82 -16.73 52.97 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-O 121.014 0.435 . . . . 0.0 110.46 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.58 16.18 71.59 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.199 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.1 t -82.92 -36.38 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.4 tp -116.45 144.31 44.47 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -67.55 144.3 55.69 Favored 'General case' 0 C--O 1.241 0.646 0 O-C-N 123.776 0.672 . . . . 0.0 110.598 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.02 -33.97 69.54 Favored 'General case' 0 C--O 1.197 -1.698 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.9 -20.29 33.29 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.62 -24.34 60.82 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.159 0.584 . . . . 0.0 111.82 -178.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 80' ' ' ARG . 12.7 ptm180 -50.59 -31.52 16.15 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.531 1.132 . . . . 0.0 111.958 176.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -68.71 -26.88 65.5 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.684 0.278 . . . . 0.0 111.266 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.92 -44.56 15.21 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.986 0.422 . . . . 0.0 110.38 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 p -75.35 -16.88 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.317 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.64 103.11 0.22 Allowed 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.616 0.722 . . . . 0.0 109.58 176.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.5 m -97.64 -177.78 3.91 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.59 -175.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -60.37 144.58 50.46 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 175.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.18 104.54 5.01 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.553 0.692 . . . . 0.0 111.721 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -117.84 154.81 31.18 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.296 -1.741 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 CA--C 1.548 0.873 0 CA-C-O 121.532 0.682 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.59 112.37 28.47 Favored Pre-proline 0 C--N 1.313 -0.981 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -174.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -87.21 169.83 7.19 Favored 'Trans proline' 0 C--O 1.246 0.899 0 C-N-CA 122.617 2.211 . . . . 0.0 112.018 -175.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -61.37 125.32 16.6 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 N-CA-C 107.439 -1.793 . . . . 0.0 107.439 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -31.19 108.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 124.96 3.773 . . . . 0.0 114.286 -174.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -75.36 114.22 13.65 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 45' ' ' SER . 67.8 mt -85.11 96.74 9.54 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.253 -175.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.8 t -99.46 112.66 32.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -99.55 129.27 45.7 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.8 t70 -85.25 106.59 16.78 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 mt -75.55 -17.55 60.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.107 -174.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -73.47 -42.65 61.63 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 17' ' ' VAL . 31.1 tpt180 -61.67 -32.88 73.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.255 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.33 -12.34 61.58 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.455 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.73 -29.36 32.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.994 0.426 . . . . 0.0 110.056 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p -88.72 -10.61 47.77 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.31 0.576 . . . . 0.0 111.961 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 13' ' ' ARG . 97.2 t -91.3 132.05 34.93 Favored Pre-proline 0 C--N 1.312 -1.034 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 175.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.06 140.95 6.84 Favored 'Trans proline' 0 C--O 1.253 1.247 0 C-N-CA 123.559 2.84 . . . . 0.0 113.864 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -17.74 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.157 0.983 . . . . 0.0 111.687 -177.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -75.24 -12.32 60.26 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.52 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' HB3' ' CZ2' ' A' ' 72' ' ' TRP . 54.3 mttm -113.17 -53.07 2.74 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 177.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.95 -7.62 36.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -173.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.508 ' O ' ' HG2' ' A' ' 27' ' ' ARG . . . -59.77 -61.86 6.75 Favored Glycine 0 C--N 1.314 -0.648 0 CA-C-O 119.513 -0.604 . . . . 0.0 113.61 -177.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.42 -22.89 65.53 Favored 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 121.973 1.782 . . . . 0.0 111.81 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.515 ' HB2' ' OH ' ' A' ' 58' ' ' TYR . 4.1 tt -70.57 -46.49 63.4 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 177.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -64.63 -31.42 72.64 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.417 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 35.3 mmt180 -61.32 -50.3 73.53 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 175.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.45 ' O ' HG12 ' A' ' 32' ' ' ILE . 52.5 t80 -56.83 -48.22 78.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.424 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.09 -50.9 71.36 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.363 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.8 83.58 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 68.1 m -61.95 -46.9 87.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.65 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 49.4 mm -59.53 -45.26 94.06 Favored 'Isoleucine or valine' 0 C--O 1.249 1.054 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -57.78 -54.51 46.03 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 123.728 0.642 . . . . 0.0 110.257 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 p -67.91 -31.94 72.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 31' ' ' THR . 81.6 mm-40 -65.65 -41.67 92.3 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.537 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 6.3 ptm180 -88.52 -12.09 43.87 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.008 177.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.67 29.93 74.29 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.691 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -98.01 -170.53 1.99 Allowed 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.162 -176.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -122.36 -178.75 3.97 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -171.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.8 t30 72.41 90.26 0.09 Allowed 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.227 0.955 . . . . 0.0 112.189 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.44 30.41 9.91 Favored Glycine 0 N--CA 1.434 -1.461 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.095 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -95.95 -29.45 14.15 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.096 0.474 . . . . 0.0 109.796 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.5 m -143.38 138.37 26.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 123.938 0.895 . . . . 0.0 109.577 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.5 tp -124.79 124.2 41.62 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 18.8 m -101.52 110.13 22.07 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.461 ' HB ' ' CB ' ' A' ' 50' ' ' ASP . 38.5 pt -105.73 171.3 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -98.73 -178.95 4.14 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.252 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -60.73 -49.96 75.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.664 0.785 . . . . 0.0 111.672 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -69.21 -21.75 63.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.424 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 78.9 m-20 -70.13 -45.93 65.84 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.382 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.5 tp -60.02 -38.43 82.65 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.744 0.783 . . . . 0.0 109.477 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.2 mtp180 -61.67 -44.3 97.22 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.679 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.3 m -64.83 -34.91 79.49 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.221 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.14 -37.61 83.46 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.115 0.483 . . . . 0.0 111.151 174.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.7 81.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.137 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 52' ' ' ARG . 65.9 t -67.7 -30.13 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.506 -177.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.8 mt -59.16 -41.62 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-O 121.628 0.728 . . . . 0.0 109.475 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.515 ' OH ' ' HB2' ' A' ' 25' ' ' LEU . 7.8 m-85 -97.15 -0.56 46.74 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.663 -175.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 63.52 31.99 14.48 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 122.128 0.966 . . . . 0.0 110.562 -176.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -103.5 166.73 10.25 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.404 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.5 t -89.2 142.88 30.3 Favored Pre-proline 0 C--N 1.29 -2.013 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -54.1 -27.5 46.48 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.459 2.773 . . . . 0.0 113.429 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.7 m -64.44 -56.68 12.63 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 122.53 0.332 . . . . 0.0 111.365 -178.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.35 -26.35 31.33 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 121.609 0.719 . . . . 0.0 109.971 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.4 tm? -65.25 -53.61 41.78 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.706 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.6 t -65.64 -31.92 73.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.316 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -63.92 -44.71 92.08 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 123.114 0.259 . . . . 0.0 110.912 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.85 -46.53 84.6 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.817 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 65' ' ' LEU . 3.5 mm? -52.84 -42.55 65.29 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.862 0.465 . . . . 0.0 112.222 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.2 mt -75.25 -36.56 37.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 120.902 0.382 . . . . 0.0 110.336 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.8 t -73.44 -30.41 63.18 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.413 ' CZ2' ' HB3' ' A' ' 21' ' ' LYS . 45.1 m0 -73.1 -16.65 61.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.322 0.582 . . . . 0.0 109.509 177.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.95 25.12 46.4 Favored Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.583 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.411 HG12 ' HB2' ' A' ' 72' ' ' TRP . 2.9 p -101.23 -31.71 3.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 O-C-N 122.612 -0.346 . . . . 0.0 110.919 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -109.92 146.43 35.19 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.13 148.94 51.19 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.228 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.31 96.48 Favored 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 123.279 0.631 . . . . 0.0 112.378 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.85 -20.03 63.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.421 0.689 . . . . 0.0 111.894 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.18 -23.82 56.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.529 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -43.17 -31.46 0.59 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.331 1.452 . . . . 0.0 112.838 176.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.522 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 69.5 mtt85 -72.56 -14.11 61.55 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -175.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.76 -53.8 54.14 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 123.454 0.471 . . . . 0.0 111.686 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.7 m -100.07 16.1 4.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-O 121.597 0.713 . . . . 0.0 110.651 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.522 ' HB3' ' HA ' ' A' ' 81' ' ' ARG . . . -105.52 -64.49 1.14 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.217 177.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.5 p -151.51 87.77 1.39 Allowed 'General case' 0 N--CA 1.421 -1.885 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.37 -176.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -100.25 156.32 17.28 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 172.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 76.83 -31.34 0.18 Allowed 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.659 1.184 . . . . 0.0 111.682 -173.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -82.37 80.86 8.43 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 171.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 -178.121 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 CA--C 1.504 -0.801 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 34.7 tt0 -65.62 -50.17 57.4 Favored Pre-proline 0 CA--C 1.554 1.123 0 O-C-N 124.064 0.853 . . . . 0.0 109.406 173.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 2' ' ' GLU . 16.3 Cg_exo -72.95 115.89 4.52 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 121.339 1.359 . . . . 0.0 108.946 171.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.556 ' HB2' HE22 ' A' ' 48' ' ' GLN . 59.0 Cg_endo -70.57 147.85 58.56 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.474 2.116 . . . . 0.0 112.361 -175.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.17 129.78 29.87 Favored 'Trans proline' 0 C--O 1.245 0.837 0 C-N-CA 123.368 2.712 . . . . 0.0 113.368 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -92.37 140.53 29.49 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.94 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.5 mt -107.53 140.82 39.93 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.342 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -97.94 119.98 46.68 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.754 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.8 tp -103.34 126.19 50.37 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -85.52 115.11 23.04 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.05 -28.77 60.53 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -174.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -78.93 -38.21 37.87 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -67.73 -33.81 75.62 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.55 -40.86 88.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.296 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.72 -9.08 58.22 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.601 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 m -92.83 -8.0 44.77 Favored 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 122.051 0.929 . . . . 0.0 109.047 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.501 ' HB ' ' HB2' ' A' ' 22' ' ' ALA . 97.9 t -86.87 140.19 33.05 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.392 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -45.01 141.04 6.62 Favored 'Trans proline' 0 CA--C 1.554 1.517 0 C-N-CA 123.828 3.019 . . . . 0.0 113.385 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.43 63.3 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.198 1.399 . . . . 0.0 113.901 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -69.42 -7.13 34.91 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -123.31 -37.92 2.63 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.079 0.466 . . . . 0.0 110.295 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.501 ' HB2' ' HB ' ' A' ' 17' ' ' VAL . . . -78.41 -39.79 37.87 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.68 -62.24 3.37 Favored Glycine 0 N--CA 1.475 1.287 0 N-CA-C 115.029 0.772 . . . . 0.0 115.029 -173.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.32 -32.93 97.17 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.514 2.143 . . . . 0.0 112.535 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.1 tp -78.17 -33.04 50.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.546 -178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 51.5 mt-30 -66.41 -37.68 85.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -62.25 -48.35 80.36 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.174 174.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.489 ' O ' HG12 ' A' ' 32' ' ' ILE . 37.3 t80 -55.22 -50.55 69.13 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.969 0.793 . . . . 0.0 109.303 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.586 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -58.23 -46.92 85.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.95 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.48 79.66 Favored 'General case' 0 C--O 1.247 0.956 0 C-N-CA 122.729 0.412 . . . . 0.0 110.956 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.8 m -64.64 -48.08 76.15 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 28' ' ' TYR . 46.6 mm -56.63 -51.2 69.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 C-N-CA 123.21 0.604 . . . . 0.0 110.934 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.4 mm100 -51.94 -45.81 64.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.606 0.762 . . . . 0.0 110.521 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 m -74.16 -46.16 44.12 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.999 -1.001 . . . . 0.0 112.979 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -75.27 -30.13 60.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -83.07 -26.29 31.25 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.005 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.27 26.36 36.79 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -127.63 93.46 3.71 Favored 'General case' 0 CA--C 1.489 -1.38 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.175 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -87.44 74.21 9.4 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -81.59 109.99 16.54 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.61 -53.1 47.72 Favored Glycine 0 C--N 1.299 -1.497 0 N-CA-C 117.002 1.561 . . . . 0.0 117.002 -170.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.515 ' HG3' HG13 ' A' ' 43' ' ' VAL . 22.4 tptm -82.83 -50.99 8.06 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 117.644 0.722 . . . . 0.0 112.748 -173.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.515 HG13 ' HG3' ' A' ' 42' ' ' LYS . 35.6 m -127.76 166.19 25.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 CA-C-O 121.011 0.434 . . . . 0.0 111.186 -175.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.505 HD13 ' OE1' ' A' ' 33' ' ' GLN . 51.1 tp -133.84 128.55 34.91 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.0 p -103.89 118.49 36.81 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.439 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 50' ' ' ASP . 33.3 pt -119.79 170.38 9.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.481 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -102.71 179.31 4.32 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.5 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.556 HE22 ' HB2' ' A' ' 4' ' ' PRO . 4.7 pm0 -68.58 -23.83 64.53 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.32 177.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.481 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 5.3 p-10 -71.72 -27.15 62.81 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 44.8 m-20 -76.44 -44.43 35.81 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 tp -56.15 -47.3 78.46 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.379 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -59.53 -38.31 80.68 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 121.226 0.536 . . . . 0.0 110.101 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.508 ' O ' HG13 ' A' ' 57' ' ' ILE . 87.3 m -67.46 -34.18 76.65 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.874 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 99.1 mt -59.12 -42.75 91.31 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.071 0.462 . . . . 0.0 109.912 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.34 -32.51 73.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.56 -43.01 41.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.457 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 53' ' ' THR . 38.9 mt -71.9 -42.66 69.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.703 -176.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -90.46 -0.7 57.76 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.885 -175.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 48.02 68.3 0.69 Allowed 'General case' 0 C--O 1.244 0.799 0 C-N-CA 125.926 1.69 . . . . 0.0 112.804 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -138.54 144.42 39.91 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 m -63.12 137.45 97.07 Favored Pre-proline 0 C--N 1.288 -2.099 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -45.42 -40.01 17.14 Favored 'Trans proline' 0 N--CA 1.486 1.051 0 C-N-CA 123.93 3.087 . . . . 0.0 114.565 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -61.64 -57.07 13.46 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.228 0.211 . . . . 0.0 110.795 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 14.6 p -66.95 -30.05 48.31 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.136 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.35 -50.19 74.52 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 m -63.32 -40.55 97.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.964 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -59.7 -44.44 93.67 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.211 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 15.1 mm-40 -55.92 -55.34 33.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.031 0.532 . . . . 0.0 110.537 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.54 -41.52 76.95 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.374 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.2 mt -68.09 -40.55 83.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.69 177.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.9 m -66.07 -31.74 72.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.537 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.426 ' HB2' HG23 ' A' ' 74' ' ' VAL . 26.9 m0 -79.44 -16.69 55.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.02 0.438 . . . . 0.0 110.112 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.14 23.23 61.65 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' A' ' 72' ' ' TRP . 57.2 t -93.24 -24.08 5.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.8 tp -124.79 155.61 39.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.001 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.21 150.13 47.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.6 -44.67 64.02 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -59.17 -19.63 46.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.196 1.399 . . . . 0.0 112.604 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.53 -25.03 15.12 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.891 0.877 . . . . 0.0 111.514 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -56.7 -20.88 24.07 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 123.794 0.838 . . . . 0.0 111.813 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 22.2 tpt180 -73.31 -21.02 60.67 Favored 'General case' 0 C--O 1.243 0.711 0 O-C-N 122.219 -0.301 . . . . 0.0 111.09 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.16 -26.33 67.37 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.898 0.38 . . . . 0.0 110.194 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.9 p -154.46 87.33 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 CA-C-O 122.442 1.115 . . . . 0.0 109.41 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.32 67.55 8.39 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.64 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.8 m 68.34 -74.31 0.08 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.463 1.505 . . . . 0.0 110.829 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 55.82 26.51 9.68 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.728 1.211 . . . . 0.0 112.663 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 88' ' ' GLU . 19.8 t70 -87.37 -88.2 0.14 Allowed 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 9.3 tp10 174.81 -73.07 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.367 0.667 . . . . 0.0 110.896 173.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.2 tp . . . . . 0 C--N 1.31 -1.115 0 CA-C-O 118.677 -0.678 . . . . 0.0 109.963 -175.612 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 CA--C 1.516 -0.363 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -71.63 136.62 83.24 Favored Pre-proline 0 N--CA 1.445 -0.711 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -45.22 -46.58 13.58 Favored 'Trans proline' 0 CA--C 1.564 2.024 0 C-N-CA 123.832 3.021 . . . . 0.0 115.428 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.35 119.07 6.08 Favored 'Trans proline' 0 C--N 1.387 2.601 0 C-N-CA 121.84 1.694 . . . . 0.0 111.444 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -55.27 116.65 3.3 Favored 'Trans proline' 0 C--O 1.248 0.98 0 C-N-CA 123.249 2.632 . . . . 0.0 113.082 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -97.14 115.67 27.95 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.1 mt -96.05 107.4 19.7 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.08 113.69 26.06 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 CA-C-O 121.476 0.655 . . . . 0.0 111.306 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 tp -94.98 111.56 23.34 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.15 114.65 17.23 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.9 mt -72.27 -37.76 68.98 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 123.249 0.62 . . . . 0.0 111.386 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -75.63 -42.58 51.2 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.185 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 17' ' ' VAL . 22.3 tpt180 -64.69 -40.2 94.96 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.539 HD21 ' HG ' ' A' ' 25' ' ' LEU . 52.8 tp -63.38 -30.63 71.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.071 0.462 . . . . 0.0 110.548 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.91 -19.25 61.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.6 p -95.21 -0.85 52.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.162 0.506 . . . . 0.0 110.827 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 13' ' ' ARG . 92.9 t -89.16 133.43 35.15 Favored Pre-proline 0 C--O 1.244 0.79 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -41.71 130.43 3.96 Favored 'Trans proline' 0 C--O 1.253 1.245 0 C-N-CA 124.174 3.25 . . . . 0.0 114.053 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -17.97 64.07 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.037 0.935 . . . . 0.0 110.74 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -55.5 -34.24 64.43 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 124.407 1.083 . . . . 0.0 110.754 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -122.46 -33.91 3.36 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.988 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.25 -5.75 59.12 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -177.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.01 -62.55 6.16 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 119.766 -0.463 . . . . 0.0 113.808 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -61.89 -24.7 77.38 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 122.336 2.024 . . . . 0.0 112.012 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.539 ' HG ' HD21 ' A' ' 14' ' ' LEU . 29.3 tp -78.14 -35.56 48.85 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.725 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -62.4 -34.17 76.21 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 110.117 173.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -67.12 -48.83 66.93 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.769 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.495 ' CE1' HD11 ' A' ' 32' ' ' ILE . 45.6 t80 -57.87 -49.11 77.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.497 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.98 91.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.354 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.67 96.22 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.48 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.8 m -61.33 -39.28 89.97 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 123.58 0.55 . . . . 0.0 110.786 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.495 HD11 ' CE1' ' A' ' 28' ' ' TYR . 59.5 mt -66.51 -49.1 77.94 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.194 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -57.78 -33.88 68.99 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 p -70.86 -48.19 55.21 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.51 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -76.47 -18.21 58.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 111.584 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -75.33 -27.28 59.18 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.46 -50.78 2.88 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.407 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.76 101.92 1.8 Allowed 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 123.878 0.871 . . . . 0.0 110.712 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -103.03 89.73 3.53 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.551 0.691 . . . . 0.0 109.754 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -82.23 -34.39 28.89 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.32 -23.54 26.9 Favored Glycine 0 N--CA 1.441 -1.031 0 CA-C-N 115.456 -0.793 . . . . 0.0 114.097 173.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HG3' HG13 ' A' ' 43' ' ' VAL . 27.9 tptp -92.17 -63.87 1.18 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 117.11 0.455 . . . . 0.0 112.034 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.448 HG13 ' HG3' ' A' ' 42' ' ' LYS . 27.2 m -122.94 145.7 29.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.3 tp -127.58 113.97 16.8 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 176.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.2 m -87.79 107.02 18.46 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.37 0.605 . . . . 0.0 111.019 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 pt -101.57 174.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -111.8 177.31 4.69 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 121.174 -0.21 . . . . 0.0 110.762 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -64.48 -31.53 72.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 121.096 0.474 . . . . 0.0 110.568 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.3 -40.18 81.3 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.978 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -73.13 -43.2 61.98 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.399 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.5 tp -55.7 -43.7 76.69 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.44 0.638 . . . . 0.0 109.553 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.408 ' O ' HG23 ' A' ' 56' ' ' VAL . 18.9 tpt180 -61.54 -39.05 89.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.247 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.566 ' O ' HG13 ' A' ' 57' ' ' ILE . 28.5 m -63.79 -49.03 74.5 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.671 0.607 . . . . 0.0 109.569 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mp -52.64 -47.26 67.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.337 0.655 . . . . 0.0 111.157 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.98 -42.11 72.02 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.668 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 52' ' ' ARG . 63.0 t -72.88 -41.03 60.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.955 0.407 . . . . 0.0 110.144 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 53' ' ' THR . 47.6 mt -63.1 -50.84 77.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.745 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -86.83 1.53 52.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.716 -172.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 t70 59.66 58.34 2.91 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 122.334 1.064 . . . . 0.0 110.84 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -139.99 143.46 36.49 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.153 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 m -64.28 141.89 98.22 Favored Pre-proline 0 C--N 1.299 -1.592 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -43.48 -47.53 9.19 Favored 'Trans proline' 0 C--N 1.365 1.425 0 C-N-CA 124.134 3.223 . . . . 0.0 114.235 -176.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.495 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 21.3 m -65.85 -44.45 85.44 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.989 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.88 -41.16 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.373 0.606 . . . . 0.0 109.829 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.75 -40.67 97.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.075 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 57.1 m -64.27 -42.46 96.44 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.29 -0.413 . . . . 0.0 109.975 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 63' ' ' SER . 48.2 mt-10 -59.86 -38.15 81.32 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.63 -56.29 23.85 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 123.485 0.714 . . . . 0.0 111.217 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.43 -36.55 76.1 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.352 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 76.4 mt -71.93 -34.79 52.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.4 t -68.05 -32.44 72.8 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 122.911 0.484 . . . . 0.0 110.497 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 14.7 m0 -87.29 -7.37 57.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.164 0.507 . . . . 0.0 110.05 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.68 27.68 68.75 Favored Glycine 0 CA--C 1.503 -0.699 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.218 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.6 t -93.58 -29.86 4.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.5 tp -111.57 155.51 23.21 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.437 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.49 140.01 57.04 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 123.673 0.789 . . . . 0.0 110.475 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.57 -33.4 74.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -77.71 -23.36 49.45 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 120.851 0.358 . . . . 0.0 111.264 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -25.47 23.18 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -14.77 62.35 Favored 'General case' 0 C--O 1.212 -0.893 0 C-N-CA 118.884 -1.126 . . . . 0.0 111.398 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -69.97 -34.9 73.99 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.46 -36.18 63.32 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.487 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.98 -48.01 76.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.266 0.555 . . . . 0.0 110.011 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.13 37.91 0.63 Allowed 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 123.062 0.545 . . . . 0.0 111.092 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 87' ' ' ASP . 32.2 t -77.94 4.88 10.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.301 -178.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -78.35 43.65 0.47 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 122.77 1.272 . . . . 0.0 109.42 174.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 85' ' ' SER . 11.3 t70 -123.85 92.55 3.7 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 -177.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -95.0 -26.74 15.96 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.296 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.294 -1.829 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -178.807 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 C--O 1.25 1.1 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 77.86 143.86 0.1 OUTLIER Pre-proline 0 C--O 1.242 0.688 0 C-N-CA 125.504 1.522 . . . . 0.0 110.716 -175.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.11 145.01 71.67 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 121.875 1.716 . . . . 0.0 109.938 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 51.7 Cg_exo -56.07 117.33 3.96 Favored 'Trans proline' 0 C--O 1.244 0.811 0 C-N-CA 122.826 2.351 . . . . 0.0 110.836 178.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.671 ' HB2' ' NE2' ' A' ' 48' ' ' GLN . 9.0 Cg_exo -68.9 115.03 3.76 Favored 'Trans proline' 0 N--CA 1.443 -1.462 0 C-N-CA 121.892 1.728 . . . . 0.0 112.331 -179.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -105.99 125.31 50.84 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.4 mt -99.69 118.81 37.0 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.63 113.08 25.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 CA-C-O 121.213 0.53 . . . . 0.0 110.196 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.6 tp -93.64 106.5 18.46 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 12.1 t70 -77.34 111.9 13.49 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.3 mt -77.22 -26.36 52.61 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 120.901 0.382 . . . . 0.0 111.041 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.64 -47.42 66.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.561 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 17' ' ' VAL . 25.9 mmt180 -70.86 -31.17 67.77 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 176.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 1.5 tm? -64.42 -34.31 77.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -68.8 -22.77 64.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.648 176.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -88.64 -3.76 58.71 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-O 121.659 0.742 . . . . 0.0 109.833 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 13' ' ' ARG . 73.6 t -92.36 133.3 30.11 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -39.73 125.32 1.5 Allowed 'Trans proline' 0 C--O 1.254 1.293 0 C-N-CA 124.145 3.23 . . . . 0.0 113.838 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.17 -18.02 59.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.665 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -52.8 -36.11 57.86 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.729 0.811 . . . . 0.0 110.309 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -119.64 -25.53 5.93 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.573 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.66 -4.14 25.56 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -175.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.13 -62.25 6.41 Favored Glycine 0 N--CA 1.468 0.81 0 CA-C-O 119.842 -0.421 . . . . 0.0 112.76 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -58.59 -28.95 87.62 Favored 'Trans proline' 0 C--N 1.363 1.335 0 C-N-CA 122.796 2.331 . . . . 0.0 111.628 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.455 HD23 HD21 ' A' ' 14' ' ' LEU . 22.9 tp -66.16 -40.48 90.55 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.28 -178.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 15' ' ' ALA . 73.2 mt-30 -62.46 -36.5 82.67 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.134 174.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -73.13 -40.85 64.57 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.496 ' CD2' HD21 ' A' ' 54' ' ' LEU . 83.2 t80 -57.05 -49.89 74.44 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 174.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -56.24 -46.01 79.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.272 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.02 -38.64 89.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.186 0.517 . . . . 0.0 111.142 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.5 m -69.21 -43.1 74.78 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.443 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 28' ' ' TYR . 34.3 mm -58.89 -38.76 75.05 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 C-N-CA 123.477 0.711 . . . . 0.0 110.984 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 99.3 mt-30 -56.68 -49.77 74.11 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.872 177.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.7 m -66.15 -34.12 77.31 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.009 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -66.47 -35.84 81.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 mpt_? -82.97 -27.22 30.64 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.382 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.67 2.01 87.56 Favored Glycine 0 N--CA 1.467 0.718 0 CA-C-O 122.039 0.799 . . . . 0.0 111.138 -177.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -130.57 121.42 25.64 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -138.78 167.4 22.08 Favored 'General case' 0 N--CA 1.417 -2.098 0 C-N-CA 119.289 -0.964 . . . . 0.0 111.392 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -151.41 127.16 10.23 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.54 -2.93 90.05 Favored Glycine 0 C--N 1.298 -1.551 0 C-N-CA 120.136 -1.03 . . . . 0.0 113.327 -174.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -100.16 -48.09 4.74 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.784 0.326 . . . . 0.0 110.578 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.7 157.12 38.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.393 . . . . 0.0 110.975 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 tp -134.06 118.99 18.39 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 m -92.02 102.33 14.88 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.529 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.9 pt -101.59 168.76 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -112.48 177.06 4.76 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.741 177.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.671 ' NE2' ' HB2' ' A' ' 5' ' ' PRO . 25.0 mp0 -64.03 -36.87 85.4 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 123.445 0.698 . . . . 0.0 110.072 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -65.61 -26.56 67.89 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.859 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -87.38 -39.61 15.14 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 tp -55.1 -33.53 62.89 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.451 1.1 . . . . 0.0 110.337 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 56' ' ' VAL . 67.6 mtp180 -60.6 -28.11 68.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.642 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.519 ' O ' HG13 ' A' ' 57' ' ' ILE . 20.5 m -67.97 -39.42 83.34 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.496 HD21 ' CD2' ' A' ' 28' ' ' TYR . 92.4 mt -61.83 -37.43 84.42 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.595 178.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.74 87.05 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.224 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 52' ' ' ARG . 43.9 t -72.26 -33.24 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.941 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 53' ' ' THR . 29.2 mt -69.31 -48.26 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.586 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -88.03 -1.76 58.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.385 -173.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 67.96 28.07 6.96 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.818 1.247 . . . . 0.0 110.529 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -114.06 165.25 12.82 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.113 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.3 t -90.79 144.58 30.52 Favored Pre-proline 0 C--N 1.305 -1.346 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -46.72 -29.84 8.36 Favored 'Trans proline' 0 C--N 1.366 1.478 0 C-N-CA 124.257 3.304 . . . . 0.0 114.175 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.463 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 4.8 p -60.15 -57.39 13.01 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 122.46 0.304 . . . . 0.0 111.15 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 13.9 p -75.21 -26.06 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.272 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -44.29 96.79 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 m -64.83 -39.02 92.91 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.051 0.453 . . . . 0.0 109.84 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 63' ' ' SER . 50.3 mt-10 -61.99 -35.81 79.63 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.456 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 30.2 mm-40 -51.78 -61.06 2.49 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.766 0.827 . . . . 0.0 110.924 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.24 -35.76 74.25 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.905 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.4 mt -67.75 -49.22 71.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.218 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.4 p -64.69 -32.15 73.69 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -76.86 -16.81 59.31 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.233 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.54 34.35 11.98 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.605 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -108.71 -39.34 4.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -113.3 151.92 30.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.634 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -77.72 148.34 34.95 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.32 80.38 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 123.599 0.76 . . . . 0.0 112.788 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.7 -23.33 66.05 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -175.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -24.79 39.33 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.474 0.709 . . . . 0.0 111.749 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -53.48 -25.17 15.28 Favored 'General case' 0 C--O 1.209 -1.029 0 C-N-CA 124.041 0.937 . . . . 0.0 111.352 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -53.9 -33.93 58.03 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.224 1.41 . . . . 0.0 111.167 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.0 -28.93 70.14 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.305 -0.861 . . . . 0.0 113.307 -174.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.8 p -139.25 26.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-O 122.151 0.976 . . . . 0.0 108.672 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.16 121.89 9.8 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.065 -1.425 . . . . 0.0 114.249 -173.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.3 m -146.0 141.18 27.43 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 172.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.3 t60 67.8 99.46 0.05 Allowed 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.092 0.957 . . . . 0.0 111.67 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -92.61 158.86 15.74 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.61 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.98 112.76 6.61 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 123.108 0.255 . . . . 0.0 111.654 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--O 1.241 0.616 0 C-N-CA 124.545 1.138 . . . . 0.0 111.078 179.612 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm . . . . . 0 N--CA 1.441 -0.897 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -87.15 106.9 18.2 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -99.37 114.97 39.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.14 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -102.38 129.32 48.81 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.217 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -83.44 115.53 22.1 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.7 mt -76.77 -29.71 56.21 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.463 -175.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -77.38 -32.43 54.9 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.909 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -64.23 -40.91 97.01 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.6 tp -64.3 -30.61 71.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.68 -23.1 63.4 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.017 0.437 . . . . 0.0 110.991 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.0 m -89.84 -5.36 56.94 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 121.906 0.86 . . . . 0.0 109.993 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.8 t -89.46 135.42 31.03 Favored Pre-proline 0 C--N 1.316 -0.877 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . 12.4 Cg_endo -54.28 141.64 70.38 Favored 'Trans proline' 0 C--O 1.262 1.707 0 C-N-CA 123.069 2.513 . . . . 0.0 113.333 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.7 -20.33 33.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.296 1.438 . . . . 0.0 113.891 -173.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.445 ' HG2' ' HB2' ' A' ' 18' ' ' PRO . 7.7 pt-20 -50.54 -41.42 53.89 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.623 0.769 . . . . 0.0 111.585 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 33.6 mtmm -122.8 -24.51 4.82 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.017 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -76.28 -38.49 56.09 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.434 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.3 -60.17 4.79 Favored Glycine 0 N--CA 1.473 1.104 0 O-C-N 124.095 0.872 . . . . 0.0 114.309 -175.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -52.61 -39.02 76.7 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 122.889 2.393 . . . . 0.0 112.96 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp -75.78 -38.56 58.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.871 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 93.1 mt-30 -60.99 -33.16 72.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.364 0.602 . . . . 0.0 109.406 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 4.2 mmp_? -74.95 -47.14 31.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.783 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.83 -54.9 27.69 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.538 0.735 . . . . 0.0 110.067 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.92 93.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.612 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.19 86.47 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.203 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.1 m -71.94 -42.08 67.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.719 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 48.7 mm -64.6 -48.17 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . 13.8 mm100 -62.31 -46.0 90.68 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 p -65.1 -34.05 77.49 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.479 -0.488 . . . . 0.0 112.063 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -81.15 -22.32 39.09 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.643 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 28.3 mmt180 -84.87 -27.83 26.43 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.259 177.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.84 -48.0 0.99 Allowed Glycine 0 C--N 1.314 -0.685 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.447 ' HB2' ' HB3' ' A' ' 33' ' ' GLN . 23.1 t70 80.14 124.06 0.04 OUTLIER 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 125.61 1.564 . . . . 0.0 114.795 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -147.47 23.43 1.14 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 171.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.642 ' HB3' ' O ' ' A' ' 43' ' ' VAL . 17.0 m120 -104.27 -52.39 2.93 Favored 'General case' 0 CA--C 1.495 -1.161 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.154 -176.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.52 -71.9 0.02 OUTLIER Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.217 0.948 . . . . 0.0 115.423 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -83.05 -39.25 21.46 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 123.312 0.645 . . . . 0.0 111.575 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.642 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 16.5 m -130.37 131.4 65.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -173.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.3 tp -107.89 132.87 53.01 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.3 t -110.98 122.8 48.81 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.8 pt -119.95 179.35 2.09 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -94.11 166.7 12.0 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.99 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -69.44 -40.89 76.94 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 122.022 0.915 . . . . 0.0 108.649 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.49 -30.17 61.72 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.098 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.46 -22.88 61.01 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.138 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.1 tp -64.83 -28.98 69.93 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.363 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -65.8 -21.93 66.53 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.732 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.447 ' O ' HG13 ' A' ' 57' ' ' ILE . 11.4 m -63.49 -42.21 98.54 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.465 HD22 ' OH ' ' A' ' 58' ' ' TYR . 96.1 mt -67.12 -33.06 74.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.047 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.01 74.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.554 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.0 t -73.19 -42.66 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.461 HD12 HD23 ' A' ' 54' ' ' LEU . 44.6 mt -60.99 -45.93 97.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.73 -177.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.465 ' OH ' HD22 ' A' ' 54' ' ' LEU . 3.3 m-85 -89.47 -11.69 42.26 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.129 -0.629 . . . . 0.0 110.232 -175.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 64.8 59.1 0.92 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-O 122.979 1.371 . . . . 0.0 109.709 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -129.49 154.05 47.37 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 113.875 -1.511 . . . . 0.0 108.482 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.0 m -75.12 137.72 72.35 Favored Pre-proline 0 C--N 1.3 -1.55 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -46.68 -43.06 23.74 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 123.724 2.949 . . . . 0.0 113.428 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 m -57.22 -54.05 51.22 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.654 0.782 . . . . 0.0 110.943 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 55.7 t -67.85 -38.26 79.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.542 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.95 -44.83 94.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.351 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.2 m -61.98 -43.53 98.65 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.122 0.487 . . . . 0.0 109.706 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -64.43 -31.76 73.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.519 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 9.9 mm-40 -58.34 -55.97 28.09 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 123.466 0.479 . . . . 0.0 111.112 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.67 -37.82 76.83 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.298 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 93.9 mt -68.22 -42.13 84.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.531 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -64.59 -42.69 95.41 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 123.122 0.569 . . . . 0.0 110.652 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -73.62 -15.62 61.26 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.997 0.427 . . . . 0.0 110.79 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.79 20.76 60.79 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -88.84 -23.43 6.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 58.6 tp -135.51 154.89 51.24 Favored 'General case' 0 N--CA 1.436 -1.175 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.07 151.37 19.25 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 123.486 0.491 . . . . 0.0 110.972 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.35 -12.88 60.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.336 1.065 . . . . 0.0 110.329 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.8 -22.39 66.59 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 114.656 -1.157 . . . . 0.0 110.912 174.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.5 -24.1 61.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.807 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -55.44 -30.97 61.49 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.615 0.766 . . . . 0.0 112.385 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 . . . . . 0 C--O 1.217 -0.619 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.409 -179.157 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp . . . . . 0 N--CA 1.426 -1.63 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -85.79 112.98 21.6 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.754 -173.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.8 t -95.15 112.38 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.582 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tt -106.89 111.53 24.08 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.424 ' O ' HG13 ' A' ' 74' ' ' VAL . 10.4 t70 -72.82 108.89 6.02 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.281 -176.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.4 mt -77.19 -21.52 53.81 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -174.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -82.47 -39.57 22.33 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.938 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 17' ' ' VAL . 26.2 tpt180 -66.02 -31.98 73.19 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 173.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.59 -31.25 71.3 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.752 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -70.75 -31.76 68.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.19 0.519 . . . . 0.0 110.821 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 p -86.69 6.67 30.08 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 13' ' ' ARG . 89.0 t -95.44 130.4 32.24 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -43.72 142.61 3.27 Favored 'Trans proline' 0 C--O 1.255 1.326 0 C-N-CA 124.204 3.269 . . . . 0.0 114.458 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.17 67.36 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.835 1.254 . . . . 0.0 111.286 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -54.18 -40.01 67.15 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.558 0.743 . . . . 0.0 110.125 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -102.34 -51.1 3.43 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.037 -174.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.544 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -94.73 1.89 55.5 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -172.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.33 -69.89 0.81 Allowed Glycine 0 N--CA 1.475 1.253 0 N-CA-C 115.044 0.778 . . . . 0.0 115.044 -175.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -68.81 -19.99 40.2 Favored 'Trans proline' 0 C--O 1.241 0.632 0 C-N-CA 122.616 2.21 . . . . 0.0 111.875 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.2 tp -73.55 -38.78 65.12 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.812 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 95.2 mt-30 -63.47 -35.23 79.76 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.6 0.714 . . . . 0.0 109.191 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -68.63 -41.45 79.43 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.256 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.451 ' O ' HG12 ' A' ' 32' ' ' ILE . 73.8 t80 -64.8 -38.85 92.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.06 88.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.387 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.09 97.37 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 110.315 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.8 m -61.3 -36.74 80.91 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.325 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 28' ' ' TYR . 47.2 mm -66.3 -45.23 90.25 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.71 -41.65 86.86 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.39 0.431 . . . . 0.0 111.52 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 m -64.91 -31.01 72.04 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.465 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -79.53 -32.52 42.29 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.253 -0.28 . . . . 0.0 110.977 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -72.55 -27.53 62.27 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 120.482 0.182 . . . . 0.0 111.033 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.99 35.85 92.65 Favored Glycine 0 C--O 1.243 0.699 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -145.26 153.29 41.15 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -96.01 0.64 51.92 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 118.982 -1.087 . . . . 0.0 113.643 -175.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -71.71 93.29 1.26 Allowed 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.788 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.83 41.01 1.78 Allowed Glycine 0 CA--C 1.472 -2.624 0 N-CA-C 110.194 -1.163 . . . . 0.0 110.194 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -90.51 -37.76 13.67 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.9 m -141.12 153.71 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.288 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.5 tp -124.09 136.1 54.0 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 p -104.15 119.92 40.0 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 123.444 0.465 . . . . 0.0 110.527 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.428 ' HB ' ' HB2' ' A' ' 50' ' ' ASP . 20.9 pt -140.63 171.35 13.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 C-N-CA 122.796 0.438 . . . . 0.0 110.095 178.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -109.93 171.47 7.43 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -62.86 -30.32 71.42 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.868 0.842 . . . . 0.0 109.558 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.0 -31.69 72.73 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.514 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 27.0 m-20 -85.06 -43.14 14.18 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' HA ' HD13 ' A' ' 54' ' ' LEU . 47.6 tp -56.12 -32.16 63.97 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.59 1.156 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 56' ' ' VAL . 79.0 ttt180 -52.6 -42.16 64.32 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.018 0.927 . . . . 0.0 111.043 177.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.508 ' O ' HG13 ' A' ' 57' ' ' ILE . 38.4 m -59.88 -42.05 92.88 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 122.946 0.498 . . . . 0.0 110.763 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 51' ' ' LEU . 6.5 mp -64.29 -43.78 93.7 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -177.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.37 82.46 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.326 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 52' ' ' ARG . 89.8 t -65.6 -35.59 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.754 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 53' ' ' THR . 38.8 mt -65.08 -29.84 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.714 0.768 . . . . 0.0 110.53 -178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -102.5 5.83 39.66 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.838 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.2 t70 60.74 34.17 19.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.701 1.201 . . . . 0.0 110.25 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 60' ' ' GLN . 16.7 mt-30 -113.34 164.47 13.53 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.069 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.6 t -84.79 141.87 38.77 Favored Pre-proline 0 N--CA 1.434 -1.255 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.75 -36.42 82.08 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.253 2.635 . . . . 0.0 112.884 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.0 p -63.22 -52.21 63.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.269 0.556 . . . . 0.0 110.627 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.99 -43.0 97.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.245 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.2 tm? -58.8 -47.93 83.05 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.191 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.419 ' O ' HG13 ' A' ' 70' ' ' ILE . 96.2 m -57.77 -49.44 76.6 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 123.197 0.599 . . . . 0.0 111.271 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.3 -34.62 75.52 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -64.09 -54.74 29.28 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.504 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 4.4 mm? -56.77 -38.3 72.3 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.32 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 66' ' ' THR . 72.0 mt -66.69 -42.27 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-O 120.941 0.401 . . . . 0.0 110.097 177.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.1 m -64.89 -28.51 69.59 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.402 ' HB2' HG23 ' A' ' 74' ' ' VAL . 13.0 m0 -86.66 -5.5 59.11 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.192 0.52 . . . . 0.0 110.242 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.23 21.0 65.91 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 10' ' ' ASP . 96.8 t -91.79 -45.49 14.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 121.093 0.473 . . . . 0.0 110.279 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.433 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 64.5 tp -104.35 143.96 32.27 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.916 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.15 139.95 58.45 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.02 -19.46 65.7 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 23.4 t70 -59.46 -19.94 51.47 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.028 0.931 . . . . 0.0 111.635 -178.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.9 -27.88 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.507 1.123 . . . . 0.0 112.086 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -56.85 -32.5 65.87 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.647 0.779 . . . . 0.0 112.512 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 78' ' ' ASP . 14.1 ptp180 . . . . . 0 C--O 1.216 -0.703 0 C-N-CA 119.543 -0.863 . . . . 0.0 110.711 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 N--CA 1.416 -2.145 0 CA-C-O 121.178 0.513 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.97 104.29 9.51 Favored 'General case' 0 N--CA 1.41 -2.441 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -88.92 112.26 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.38 123.92 39.15 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -77.04 112.92 14.2 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.27 -26.34 64.72 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -68.49 -47.85 65.95 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.327 0.584 . . . . 0.0 109.972 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -63.31 -40.13 96.5 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.045 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 tp -61.79 -40.8 96.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.266 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.47 -16.35 61.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.103 0.477 . . . . 0.0 111.271 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.4 m -80.7 -26.71 37.33 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.377 0.608 . . . . 0.0 109.607 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.7 t -78.08 134.47 63.66 Favored Pre-proline 0 C--N 1.313 -0.979 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.59 152.33 27.69 Favored 'Trans proline' 0 C--O 1.25 1.1 0 C-N-CA 123.475 2.783 . . . . 0.0 113.304 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.37 -28.32 69.15 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.384 0.673 . . . . 0.0 111.681 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.57 -31.42 56.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.348 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.526 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 8.1 mmpt? -108.55 -54.11 2.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.086 0.47 . . . . 0.0 111.045 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.02 -9.54 45.54 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -172.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -57.89 -56.8 23.18 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 119.749 -0.473 . . . . 0.0 113.572 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.27 -22.53 46.21 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 121.984 1.789 . . . . 0.0 111.501 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.587 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -73.91 -46.62 43.24 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 178.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.48 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 78.4 mt-30 -63.92 -26.58 68.66 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 21.6 mtm180 -62.82 -50.83 69.41 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.485 ' CD1' HD21 ' A' ' 54' ' ' LEU . 39.8 t80 -63.25 -43.88 96.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.068 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' A' ' 26' ' ' GLN . . . -56.63 -47.26 80.09 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.41 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.15 85.53 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.562 0.539 . . . . 0.0 110.252 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.2 m -63.36 -44.93 93.39 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.695 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.4 mm -69.07 -40.08 80.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.956 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 28.0 mt-30 -57.64 -49.25 77.06 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.129 0.49 . . . . 0.0 110.089 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.8 t -66.81 -49.26 66.38 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.104 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -86.28 -43.46 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -172.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -110.37 -28.6 8.5 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 118.601 -1.239 . . . . 0.0 112.857 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.89 -10.81 82.5 Favored Glycine 0 CA--C 1.494 -1.266 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 t70 49.0 64.25 1.8 Allowed 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 125.874 1.669 . . . . 0.0 111.851 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 58.34 87.72 0.07 Allowed 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.678 1.591 . . . . 0.0 114.283 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -157.12 122.62 4.66 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.39 28.85 8.32 Favored Glycine 0 N--CA 1.436 -1.348 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.192 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -100.16 -56.36 2.38 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.513 0.673 . . . . 0.0 110.031 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.2 m -137.31 154.96 31.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.795 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.5 tp -128.65 131.27 48.04 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -111.67 113.23 25.48 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 120.881 0.372 . . . . 0.0 110.427 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.9 pt -123.66 172.1 11.6 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -97.9 171.98 7.94 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.65 -24.07 62.63 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 173.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -62.74 -39.46 94.17 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.639 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -70.72 -39.63 73.29 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 54' ' ' LEU . 8.9 tt -66.03 -32.02 73.24 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.62 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.444 ' O ' HG23 ' A' ' 56' ' ' VAL . 46.7 ttm105 -59.86 -40.66 89.36 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.458 ' O ' HG13 ' A' ' 57' ' ' ILE . 48.3 m -70.33 -38.34 74.88 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.906 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.485 HD21 ' CD1' ' A' ' 28' ' ' TYR . 76.8 mt -55.17 -49.66 71.31 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.69 -31.22 66.15 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.657 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 52' ' ' ARG . 61.7 t -73.32 -38.61 54.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 53' ' ' THR . 34.7 mt -63.07 -47.86 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 121.185 0.516 . . . . 0.0 110.577 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.587 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 4.5 m-85 -88.03 -3.29 58.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.119 -175.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 t70 58.29 61.07 2.4 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.82 1.248 . . . . 0.0 109.6 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -134.89 165.28 25.66 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.496 -1.229 . . . . 0.0 109.692 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.0 t -76.75 131.62 73.39 Favored Pre-proline 0 N--CA 1.429 -1.513 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.43 -36.53 88.08 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 123.008 2.472 . . . . 0.0 111.812 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.6 m -62.64 -50.07 72.68 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.186 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 49.1 t -69.22 -36.67 73.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.923 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.02 -50.86 71.64 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.999 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.9 m -60.12 -42.88 95.71 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.445 0.64 . . . . 0.0 109.296 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.28 -42.66 99.02 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.153 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 64' ' ' VAL . 26.6 mt-30 -61.77 -51.4 68.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 122.467 0.307 . . . . 0.0 111.203 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.16 -39.67 72.69 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 120.758 0.313 . . . . 0.0 111.74 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.88 -47.15 83.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.319 176.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 m -65.47 -31.89 73.2 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -73.33 -16.8 61.35 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 110.649 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.9 18.95 49.35 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.113 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.99 -44.8 14.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.8 tp -104.99 151.41 23.95 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.28 147.67 34.21 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -59.56 -51.67 68.86 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -176.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.9 -21.53 30.41 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.22 -24.56 66.43 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.099 0.56 . . . . 0.0 111.61 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 8.3 ptm180 -55.1 -32.11 61.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.448 0.699 . . . . 0.0 111.975 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.91 -176.179 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm . . . . . 0 N--CA 1.434 -1.24 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 45' ' ' SER . 69.6 mt -80.45 109.93 15.42 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -175.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.9 114.03 41.33 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.451 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.11 126.62 49.11 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -79.25 110.15 14.26 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 175.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.24 -33.73 75.95 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.598 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -69.99 -31.27 68.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.6 0.714 . . . . 0.0 110.271 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -75.65 -35.19 60.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.94 -29.53 70.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.486 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.3 0.3 14.72 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.27 0.628 . . . . 0.0 111.513 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -107.13 4.04 26.4 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 122.506 1.146 . . . . 0.0 109.096 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.9 t -106.04 126.41 30.69 Favored Pre-proline 0 N--CA 1.439 -0.985 0 N-CA-C 108.066 -1.086 . . . . 0.0 108.066 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.608 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 36.9 Cg_endo -63.22 158.44 44.37 Favored 'Trans proline' 0 C--O 1.256 1.422 0 C-N-CA 123.068 2.512 . . . . 0.0 113.757 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.23 -27.35 67.13 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -173.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.608 ' OE1' ' HB2' ' A' ' 18' ' ' PRO . 2.9 pm0 -62.44 -22.99 66.63 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -116.95 -41.93 2.99 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.751 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -103.29 -0.65 29.99 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -175.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.0 -65.38 2.72 Favored Glycine 0 N--CA 1.483 1.768 0 N-CA-C 115.062 0.785 . . . . 0.0 115.062 -174.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.412 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 24.5 Cg_exo -64.16 -28.74 64.9 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.09 1.86 . . . . 0.0 111.679 -179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.75 -42.65 73.63 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.841 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 96.8 mt-30 -64.75 -40.86 96.0 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.0 mtm105 -64.46 -44.47 90.99 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.351 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.416 ' O ' HG12 ' A' ' 32' ' ' ILE . 54.9 t80 -61.39 -43.96 97.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.39 88.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.328 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.33 73.93 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.914 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 72.4 m -66.16 -44.13 84.98 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.011 177.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 28' ' ' TYR . 48.3 mm -61.74 -41.91 92.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.268 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -56.64 -56.24 23.85 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.9 p -68.16 -36.36 79.52 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 31' ' ' THR . 85.7 mm-40 -67.87 -42.07 81.85 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.897 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -73.49 -26.32 60.85 Favored 'General case' 0 N--CA 1.424 -1.771 0 CA-C-O 121.077 0.465 . . . . 0.0 110.372 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.88 32.0 13.83 Favored Glycine 0 CA--C 1.49 -1.469 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -119.45 153.51 35.16 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 114.919 -0.641 . . . . 0.0 109.971 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -124.86 16.76 8.64 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -73.09 100.4 3.02 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.38 30.99 9.05 Favored Glycine 0 C--N 1.294 -1.802 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -96.91 -59.02 1.89 Allowed 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.8 m -138.92 157.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.081 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.1 tp -135.47 134.03 39.14 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 23.0 t -119.88 116.33 25.61 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.205 0.526 . . . . 0.0 109.669 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 pp -113.86 170.45 4.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.206 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.91 177.17 4.97 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.987 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 88.5 mm-40 -69.41 -28.01 65.79 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.913 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -67.53 -36.61 81.35 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.164 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' O ' HD13 ' A' ' 54' ' ' LEU . 6.7 m-20 -70.35 -42.0 72.44 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 tp -53.59 -43.45 68.59 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.072 0.463 . . . . 0.0 110.365 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 48' ' ' GLN . 28.1 mmm180 -64.93 -24.21 67.46 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.393 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 57' ' ' ILE . 32.0 m -87.4 -52.73 5.2 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 50' ' ' ASP . 10.8 mp -52.49 -46.41 66.58 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 124.232 1.013 . . . . 0.0 112.717 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.61 68.02 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.465 0.478 . . . . 0.0 111.556 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.93 -37.29 53.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.287 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 53' ' ' THR . 53.8 mt -61.94 -38.35 80.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.437 0.636 . . . . 0.0 109.826 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 24' ' ' PRO . 5.8 m-85 -92.51 4.49 53.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.649 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 66.17 24.1 10.85 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.452 1.101 . . . . 0.0 111.05 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -109.33 158.96 17.38 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.443 0.639 . . . . 0.0 111.741 -176.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.0 m -88.79 141.95 30.27 Favored Pre-proline 0 C--N 1.298 -1.636 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.471 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -44.48 -45.25 13.02 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 124.742 3.628 . . . . 0.0 116.555 -174.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.6 m -66.21 -50.74 62.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 118.079 0.4 . . . . 0.0 110.786 -176.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.4 m -69.66 -27.56 34.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.231 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.8 -46.1 76.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -62.63 -43.56 98.49 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.571 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.89 -42.05 97.23 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.751 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -52.67 -57.08 11.22 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.27 0.628 . . . . 0.0 111.198 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.06 -38.74 68.41 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.1 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.8 mt -73.3 -38.91 54.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.296 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.4 p -69.55 -22.9 63.51 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -85.63 -14.35 45.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.356 0.598 . . . . 0.0 109.703 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.37 19.52 68.83 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 -177.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.3 t -88.52 -34.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.142 0.496 . . . . 0.0 109.687 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.8 tp -116.29 148.12 40.85 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.947 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.03 141.29 58.82 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.337 1.023 . . . . 0.0 110.144 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.85 -27.83 67.85 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -174.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.61 -20.35 62.76 Favored 'General case' 0 C--N 1.31 -1.128 0 O-C-N 122.093 -0.38 . . . . 0.0 111.974 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.02 -38.74 62.61 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.189 0.596 . . . . 0.0 111.955 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -26.28 67.92 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 55.8 ttp85 . . . . . 0 CA--C 1.504 -0.824 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.117 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? . . . . . 0 N--CA 1.419 -1.989 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 62.1 mt -81.36 104.67 11.97 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.395 -171.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.24 126.89 74.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.9 mt -102.67 138.61 39.35 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.314 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -89.6 107.64 19.2 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 175.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 44' ' ' LEU . 92.1 mt -74.51 -22.26 59.14 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.967 -174.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -76.06 -39.18 56.04 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -68.59 -35.31 77.18 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 HD11 HD23 ' A' ' 25' ' ' LEU . 46.6 tp -65.4 -29.05 69.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.211 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.71 -22.42 59.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 m -81.93 -31.82 31.14 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.221 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.03 132.07 93.54 Favored Pre-proline 0 C--O 1.242 0.7 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -39.59 134.48 1.43 Allowed 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 124.291 3.327 . . . . 0.0 113.458 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.05 -18.25 45.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -174.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -79.01 -30.28 44.16 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.561 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -85.24 -48.44 9.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.183 0.516 . . . . 0.0 110.374 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.91 -6.12 27.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -173.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.28 -60.26 9.25 Favored Glycine 0 N--CA 1.468 0.77 0 CA-C-O 119.907 -0.385 . . . . 0.0 113.502 -177.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -57.59 -28.29 80.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 122.549 2.166 . . . . 0.0 112.48 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.427 HD23 HD11 ' A' ' 14' ' ' LEU . 46.1 tp -77.84 -34.36 51.89 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.508 -177.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -63.97 -23.34 67.3 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.977 0.418 . . . . 0.0 111.498 175.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -69.62 -53.17 20.04 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.568 ' CD2' HD21 ' A' ' 54' ' ' LEU . 69.9 t80 -57.35 -42.02 81.21 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 114.319 -1.309 . . . . 0.0 110.186 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.57 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -54.06 -51.87 62.7 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.894 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.0 76.16 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-O 121.262 0.554 . . . . 0.0 111.831 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.1 m -67.09 -47.17 72.02 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 121.492 0.663 . . . . 0.0 109.777 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.51 HG13 ' CE2' ' A' ' 28' ' ' TYR . 34.7 mm -69.81 -36.29 69.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.857 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 28.6 mt-30 -55.01 -47.96 74.0 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.5 m -60.27 -41.5 93.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.564 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -71.37 -29.06 64.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -99.31 7.86 45.22 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.294 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.19 27.79 71.23 Favored Glycine 0 C--O 1.242 0.643 0 CA-C-N 115.199 -0.91 . . . . 0.0 114.138 174.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.547 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 22.1 t70 -108.17 129.62 55.17 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.228 -178.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -132.07 29.17 4.4 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -91.83 -38.69 12.19 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.834 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.82 22.3 77.2 Favored Glycine 0 C--O 1.224 -0.526 0 CA-C-N 115.59 -0.732 . . . . 0.0 113.691 175.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -100.25 -64.99 0.99 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 117.231 0.515 . . . . 0.0 111.609 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.5 m -126.56 125.35 67.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.969 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.439 ' HB2' HD11 ' A' ' 11' ' ' LEU . 59.0 tp -116.01 119.39 35.74 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.055 -178.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 m -82.46 125.26 30.88 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.636 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.3 pt -123.93 176.25 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.251 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -107.15 169.4 8.58 Favored 'General case' 0 C--N 1.29 -1.978 0 C-N-CA 123.09 0.556 . . . . 0.0 109.841 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -66.8 -31.78 72.63 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.3 -41.24 98.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.473 -1.24 . . . . 0.0 111.027 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -65.97 -42.66 89.6 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HG ' HD12 ' A' ' 65' ' ' LEU . 7.6 tt -62.62 -41.13 98.82 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.653 178.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -62.74 -38.24 89.75 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.167 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.8 m -67.85 -38.99 83.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.343 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.568 HD21 ' CD2' ' A' ' 28' ' ' TYR . 92.1 mt -61.12 -39.76 91.21 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.176 177.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.52 69.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.829 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.98 -47.85 66.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.967 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.4 mt -63.04 -46.37 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.604 0.716 . . . . 0.0 110.808 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.425 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 9.6 m-85 -91.37 8.02 38.22 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.026 -172.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 52.81 65.95 1.37 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.267 1.032 . . . . 0.0 110.539 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.577 HE21 ' HA ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -139.01 172.8 12.31 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.568 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.8 p -102.87 155.48 36.52 Favored Pre-proline 0 C--N 1.282 -2.332 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -46.3 -43.49 21.39 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.267 2.645 . . . . 0.0 114.008 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.454 ' HA ' HG22 ' A' ' 66' ' ' THR . 22.1 t -71.1 -40.47 71.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.693 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.4 t -68.03 -37.44 78.27 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 CA-C-O 121.184 0.516 . . . . 0.0 109.728 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.406 HD12 ' HG ' ' A' ' 51' ' ' LEU . 3.2 tm? -63.34 -51.61 65.26 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.615 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 63' ' ' SER . 13.7 t -64.32 -35.05 79.6 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.17 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.61 -38.27 89.53 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -68.52 -48.62 63.9 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.182 0.301 . . . . 0.0 111.009 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.23 -39.79 79.99 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.07 -34.33 45.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.363 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.6 t -61.55 -42.05 98.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 28.8 m0 -74.49 -16.59 60.84 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.346 0.593 . . . . 0.0 111.103 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.1 10.51 78.14 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.4 t -77.02 -35.21 22.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 tp -112.88 146.13 39.46 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.68 146.3 51.71 Favored 'General case' 0 C--N 1.313 -1.019 0 O-C-N 123.81 0.694 . . . . 0.0 111.467 -177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.454 ' O ' ' HD2' ' A' ' 80' ' ' ARG . . . -69.05 -27.91 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -176.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.525 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 33.7 t70 -83.91 -23.19 31.3 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.521 0.677 . . . . 0.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.64 -24.15 55.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.401 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.525 ' NH1' ' HA ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -56.99 -16.36 6.83 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.227 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 178.607 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm . . . . . 0 CA--C 1.503 -0.834 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.417 ' HB2' HG13 ' A' ' 46' ' ' ILE . 61.4 mt -105.8 136.82 44.74 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.8 t -111.18 113.02 43.07 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-O 121.143 0.497 . . . . 0.0 110.141 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.1 tp -94.14 124.99 38.5 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -88.84 109.96 20.64 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.5 mt -73.28 -34.88 66.03 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.666 -174.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -68.71 -44.05 74.72 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.962 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -68.63 -31.76 71.14 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.353 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.79 -35.19 77.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.266 0.555 . . . . 0.0 109.528 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.447 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -74.3 -17.3 60.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.214 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -85.08 -21.03 29.5 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.303 0.573 . . . . 0.0 109.713 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -86.86 124.75 68.54 Favored Pre-proline 0 N--CA 1.442 -0.871 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -53.69 151.49 25.07 Favored 'Trans proline' 0 C--O 1.259 1.531 0 C-N-CA 123.158 2.572 . . . . 0.0 113.554 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -21.51 47.31 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -170.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 2.5 mp0 -56.84 -47.64 79.88 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.732 0.696 . . . . 0.0 110.385 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -100.88 -30.99 11.37 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.754 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.92 -17.02 19.48 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.93 -64.03 4.08 Favored Glycine 0 N--CA 1.474 1.168 0 N-CA-C 114.803 0.681 . . . . 0.0 114.803 -175.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.47 -26.04 76.38 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.696 2.264 . . . . 0.0 112.523 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 3.5 tt -77.42 -40.66 42.68 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 15' ' ' ALA . 17.1 mm-40 -56.46 -44.07 80.16 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.659 0.784 . . . . 0.0 110.674 175.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -46.07 85.91 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 123.768 0.668 . . . . 0.0 111.44 177.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -65.85 -47.56 74.54 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.82 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.21 89.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.104 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.58 91.53 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.085 0.469 . . . . 0.0 110.467 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.419 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 98.2 m -64.53 -42.85 95.48 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.811 177.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mm -61.83 -44.96 99.59 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -55.63 -44.2 76.87 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.422 0.629 . . . . 0.0 111.242 176.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m -68.08 -27.48 66.53 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.388 -177.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 31' ' ' THR . 23.6 mt-30 -88.19 -19.72 26.53 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.478 0.656 . . . . 0.0 110.105 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -78.81 -26.09 44.27 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.21 -58.16 3.54 Favored Glycine 0 N--CA 1.44 -1.074 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.035 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -112.27 134.31 53.89 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -67.33 128.51 36.68 Favored 'General case' 0 C--N 1.311 -1.085 0 O-C-N 124.071 0.857 . . . . 0.0 109.385 -176.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -63.67 -35.26 79.95 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.607 0.567 . . . . 0.0 112.18 -174.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.36 -105.1 0.64 Allowed Glycine 0 N--CA 1.435 -1.38 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.566 173.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -94.88 -36.07 11.78 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.662 0.744 . . . . 0.0 110.243 -176.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.95 171.92 16.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.614 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -141.11 129.73 22.75 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 p -86.73 115.4 24.15 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.11 0.481 . . . . 0.0 110.936 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 7' ' ' LEU . 29.3 pt -119.31 159.39 20.14 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.421 ' HB2' ' HB2' ' A' ' 50' ' ' ASP . 41.0 mtm180 -82.15 159.0 23.43 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.805 -0.758 . . . . 0.0 112.128 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.658 ' NE2' ' H ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -51.18 -50.09 59.66 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 125.89 1.676 . . . . 0.0 112.362 177.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -82.13 -18.28 43.44 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 121.003 0.43 . . . . 0.0 111.565 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 47' ' ' ARG . 32.8 t70 -70.79 -33.05 70.35 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.264 0.554 . . . . 0.0 110.072 -175.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' A' ' 54' ' ' LEU . 3.5 tm? -63.15 -29.28 70.67 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.775 177.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -68.44 -23.64 64.63 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.092 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 m -70.46 -33.41 71.26 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.036 0.446 . . . . 0.0 110.337 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 51' ' ' LEU . 7.4 mp -65.4 -37.26 86.44 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.743 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.95 -39.75 78.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.367 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.95 -40.67 89.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.067 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.7 mt -63.32 -39.51 85.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.963 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.48 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 3.0 m-85 -94.89 7.82 44.75 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.057 -175.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 61.5 30.86 18.97 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 123.876 0.87 . . . . 0.0 112.546 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -104.56 169.35 8.51 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.653 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.0 t -99.57 137.21 20.22 Favored Pre-proline 0 N--CA 1.415 -2.205 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.81 -32.83 38.59 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.554 2.836 . . . . 0.0 113.18 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 m -55.82 -56.3 22.21 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.945 0.898 . . . . 0.0 110.516 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -78.96 -25.81 13.19 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.313 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.48 -47.36 76.33 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.4 m -63.39 -38.1 89.84 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.32 -45.74 92.33 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.46 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.59 -53.84 52.65 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.75 0.82 . . . . 0.0 111.42 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 75' ' ' LEU . 4.2 mm? -53.93 -42.67 69.05 Favored 'General case' 0 C--O 1.249 1.075 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.0 mt -68.15 -36.08 73.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-O 121.035 0.445 . . . . 0.0 110.764 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.3 m -69.9 -28.17 65.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.142 0.496 . . . . 0.0 111.379 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -84.21 -16.54 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.58 13.97 79.07 Favored Glycine 0 C--O 1.243 0.659 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -86.27 -28.28 6.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.511 0.672 . . . . 0.0 109.228 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 69' ' ' LEU . 51.9 tp -118.74 135.78 54.31 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.88 132.56 51.17 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 123.962 0.789 . . . . 0.0 109.91 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.39 -37.01 46.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -172.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.41 -19.26 8.65 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.06 0.944 . . . . 0.0 112.524 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.99 53.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.792 0.437 . . . . 0.0 111.583 175.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -29.61 69.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.04 0.447 . . . . 0.0 110.179 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.0 mttt . . . . . 0 N--CA 1.431 -1.416 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 45' ' ' SER . 71.3 mt -83.25 97.5 8.9 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.905 -176.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m -93.89 112.57 27.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-O 121.488 0.661 . . . . 0.0 111.577 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 9' ' ' LEU . 3.9 pp -101.48 131.11 47.78 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -77.59 118.49 20.04 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.066 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -78.46 -16.42 57.58 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -84.43 -42.13 15.96 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 4.5 mmt180 -68.14 -33.52 74.63 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.919 174.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.42 -29.17 70.23 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.183 0.516 . . . . 0.0 109.847 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.58 -23.09 60.91 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.518 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.5 p -87.21 -10.34 52.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.884 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.6 t -81.77 129.16 66.23 Favored Pre-proline 0 C--O 1.241 0.634 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.5 142.93 80.06 Favored 'Trans proline' 0 C--O 1.252 1.222 0 C-N-CA 123.015 2.477 . . . . 0.0 113.111 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.88 -18.85 58.59 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.22 1.008 . . . . 0.0 111.659 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -54.26 -32.84 57.16 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.101 0.56 . . . . 0.0 110.997 174.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -118.69 -38.1 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.162 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.06 -2.03 58.37 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.18 -64.94 3.93 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 121.702 -0.285 . . . . 0.0 113.298 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.98 -20.99 57.35 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.237 1.958 . . . . 0.0 111.933 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.98 -42.75 59.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.272 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.88 -34.55 76.22 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.543 175.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -64.89 -49.81 69.01 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.05 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.483 ' O ' HG12 ' A' ' 32' ' ' ILE . 46.1 t80 -59.27 -47.26 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.761 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.33 85.01 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.05 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.08 77.56 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.506 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.1 m -65.28 -43.38 91.37 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 28' ' ' TYR . 49.2 mm -62.24 -44.88 99.63 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.93 -47.86 83.54 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.28 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 p -69.57 -36.9 76.72 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -60.78 -50.65 72.61 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.413 0.149 . . . . 0.0 111.039 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.41 -26.79 61.99 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.294 0.568 . . . . 0.0 109.853 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.71 41.21 51.01 Favored Glycine 0 N--CA 1.438 -1.213 0 N-CA-C 107.599 -2.201 . . . . 0.0 107.599 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -104.08 133.23 49.38 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.428 -0.886 . . . . 0.0 108.836 -173.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -100.29 12.04 38.01 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.631 0.729 . . . . 0.0 111.291 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -73.3 105.07 4.54 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.795 0.807 . . . . 0.0 110.576 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.85 23.73 25.14 Favored Glycine 0 C--N 1.302 -1.331 0 CA-C-N 114.385 -1.279 . . . . 0.0 112.072 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -98.15 -65.03 0.99 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.479 0.657 . . . . 0.0 109.931 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.84 127.69 18.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.9 tp -102.58 120.08 39.94 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 22.0 t -93.75 114.54 26.84 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.473 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -113.19 173.22 2.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 109.632 -0.506 . . . . 0.0 109.632 177.622 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -85.66 163.2 18.42 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.634 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.488 ' CD ' ' H ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -65.45 -24.17 67.11 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.642 0.734 . . . . 0.0 109.056 171.167 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.418 ' HA ' ' HG3' ' A' ' 52' ' ' ARG . 5.3 m-20 -65.98 -34.97 79.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.143 174.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -75.9 -41.69 51.23 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.433 HD21 ' OG1' ' A' ' 66' ' ' THR . 31.8 tp -52.86 -48.95 66.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.103 176.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -68.07 -30.18 69.32 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 179.677 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.628 ' O ' HG13 ' A' ' 57' ' ' ILE . 89.5 m -71.87 -40.63 68.81 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 28' ' ' TYR . 95.4 mt -54.34 -48.09 71.8 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.111 0.564 . . . . 0.0 110.161 175.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.71 74.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.231 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 52' ' ' ARG . 95.5 t -69.47 -36.7 72.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.033 0.444 . . . . 0.0 110.533 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.628 HG13 ' O ' ' A' ' 53' ' ' THR . 53.3 mt -67.32 -34.03 66.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.598 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -101.9 4.03 39.73 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.91 -175.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 61.88 34.75 16.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.92 0.888 . . . . 0.0 111.945 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -109.92 164.89 12.16 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.794 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.1 t -78.53 135.0 61.06 Favored Pre-proline 0 C--N 1.299 -1.599 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.1 -38.56 80.85 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.95 2.433 . . . . 0.0 112.083 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -64.01 -42.44 97.15 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.61 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.2 t -75.54 -39.47 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.423 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.5 tm? -56.68 -42.18 78.62 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 123.365 0.666 . . . . 0.0 109.215 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.433 ' OG1' HD21 ' A' ' 51' ' ' LEU . 59.8 m -58.12 -49.8 75.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.859 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.69 -40.22 95.0 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.411 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.496 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -56.97 -48.3 78.71 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.723 0.409 . . . . 0.0 111.222 178.516 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.446 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 4.2 mm? -59.87 -35.43 74.8 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.238 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 90.5 mt -72.79 -38.19 56.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.341 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.4 m -63.36 -36.64 84.39 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.907 0.483 . . . . 0.0 111.466 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -76.91 -13.18 60.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.51 0.671 . . . . 0.0 109.978 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.87 30.0 49.4 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 9' ' ' LEU . 58.0 t -98.63 -48.53 12.01 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.446 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 61.5 tp -95.73 143.55 26.88 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.68 139.54 57.85 Favored 'General case' 0 C--N 1.317 -0.804 0 O-C-N 123.426 0.454 . . . . 0.0 109.932 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -54.93 -42.12 71.88 Favored 'General case' 0 C--O 1.209 -1.069 0 C-N-CA 124.026 0.93 . . . . 0.0 113.272 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.46 -25.77 1.17 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.08 -30.91 68.43 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.427 0.291 . . . . 0.0 111.563 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 6.7 ptm180 -63.36 -34.84 78.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.097 0.475 . . . . 0.0 109.901 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 . . . . . 0 N--CA 1.433 -1.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.237 -178.583 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 6.6 mptt . . . . . 0 CA--C 1.508 -0.657 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.75 96.81 10.63 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.402 ' HB ' ' HB2' ' A' ' 76' ' ' ASP . 47.0 t -104.18 124.34 58.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.5 tp -97.12 117.18 30.74 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.67 113.23 19.53 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.9 mt -80.08 -18.13 50.81 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.61 -46.92 11.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 120.962 0.411 . . . . 0.0 110.017 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.93 -28.36 68.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.17 0.51 . . . . 0.0 109.779 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.08 -33.9 74.07 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.833 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.81 -24.96 52.8 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 120.957 0.408 . . . . 0.0 111.411 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 p -77.85 -15.63 58.91 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.964 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -81.18 129.85 65.19 Favored Pre-proline 0 N--CA 1.44 -0.95 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -43.96 138.7 6.2 Favored 'Trans proline' 0 C--O 1.254 1.278 0 C-N-CA 124.116 3.211 . . . . 0.0 113.705 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.48 60.98 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 123.92 0.888 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.98 -28.35 62.27 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -112.47 -46.1 3.19 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 120.912 0.387 . . . . 0.0 110.649 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -88.08 -12.8 43.17 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -173.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -44.88 -71.37 0.48 Allowed Glycine 0 N--CA 1.481 1.659 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 -174.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -68.31 -22.89 39.22 Favored 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 122.214 1.943 . . . . 0.0 112.855 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HB2' ' OH ' ' A' ' 58' ' ' TYR . 4.7 tt -66.71 -42.42 86.38 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 55.1 mt-30 -63.98 -30.07 71.17 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.751 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -68.22 -46.25 71.05 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.904 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.483 ' O ' HG12 ' A' ' 32' ' ' ILE . 63.6 t80 -53.86 -49.17 69.08 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.235 174.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.14 90.65 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.08 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.37 87.79 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 122.989 0.515 . . . . 0.0 111.091 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.515 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 64.1 m -64.79 -41.52 95.76 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.389 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 28' ' ' TYR . 50.7 mm -62.68 -41.33 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 121.241 0.543 . . . . 0.0 109.67 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.507 HE22 ' CB ' ' A' ' 39' ' ' TYR . 27.8 mm-40 -59.87 -40.87 90.13 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.403 176.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.3 m -70.54 -28.15 64.7 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.529 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 31' ' ' THR . 81.2 mm-40 -75.05 -40.65 60.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.594 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -90.31 -5.37 56.34 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 -57.3 4.63 Favored Glycine 0 C--O 1.239 0.461 0 C-N-CA 121.242 -0.504 . . . . 0.0 111.946 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -144.84 163.12 35.05 Favored 'General case' 0 N--CA 1.418 -2.04 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 44' ' ' LEU . 13.4 t80 -153.89 -170.39 3.56 Favored 'General case' 0 N--CA 1.416 -2.168 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -58.81 -45.99 88.65 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 123.514 0.725 . . . . 0.0 109.983 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.7 -40.66 2.46 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.856 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -81.5 -41.42 21.74 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.404 0.621 . . . . 0.0 109.658 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.8 m -128.48 160.79 38.33 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.872 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 61.5 tp -135.46 118.73 16.66 Favored 'General case' 0 C--N 1.311 -1.081 0 C-N-CA 123.817 0.847 . . . . 0.0 109.302 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -80.43 122.62 27.19 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 50' ' ' ASP . 42.4 pt -118.82 170.38 8.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -178.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -105.29 175.52 5.47 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -66.14 -28.32 68.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.927 0.394 . . . . 0.0 111.772 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -75.5 -31.09 60.05 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.379 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 5.4 m-20 -60.73 -46.14 91.58 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.1 tp -56.41 -46.74 80.03 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.404 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.494 ' O ' HG23 ' A' ' 56' ' ' VAL . 64.2 mtt180 -64.36 -39.7 94.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.214 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.415 ' O ' HG13 ' A' ' 57' ' ' ILE . 28.1 m -60.95 -36.81 80.36 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.0 0.429 . . . . 0.0 110.639 -178.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.472 HD22 ' HG ' ' A' ' 25' ' ' LEU . 90.3 mt -62.96 -34.51 77.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.347 0.594 . . . . 0.0 110.869 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.58 -32.84 66.31 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.122 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 52' ' ' ARG . 61.5 t -67.82 -33.53 62.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.727 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 53' ' ' THR . 37.1 mt -56.17 -46.58 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.555 0.693 . . . . 0.0 109.712 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.62 ' OH ' ' HB2' ' A' ' 25' ' ' LEU . 9.2 m-85 -93.25 -4.27 52.18 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.968 -174.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 60.7 58.56 2.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.984 1.373 . . . . 0.0 109.962 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -131.92 171.99 12.89 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.126 -1.397 . . . . 0.0 109.455 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.6 t -77.22 139.33 64.61 Favored Pre-proline 0 N--CA 1.425 -1.711 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.805 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -58.4 -29.97 89.91 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.539 2.16 . . . . 0.0 110.74 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 m -57.03 -53.82 53.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.838 0.855 . . . . 0.0 110.577 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -73.27 -30.6 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.732 -176.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 2.9 tm? -66.53 -44.08 83.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.8 m -63.64 -50.86 67.66 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.709 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.93 -32.27 73.74 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.655 -177.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -66.56 -49.23 67.09 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.399 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.449 HD23 ' CZ3' ' A' ' 72' ' ' TRP . 78.2 mt -57.9 -39.71 78.57 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.552 0.215 . . . . 0.0 111.47 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.89 -43.0 96.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.087 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.8 m -66.7 -32.45 73.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.449 ' CZ3' HD23 ' A' ' 69' ' ' LEU . 35.5 m0 -77.53 -17.41 57.96 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.031 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.84 20.75 57.38 Favored Glycine 0 C--N 1.321 -0.281 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.7 t -93.38 -40.4 11.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.021 0.438 . . . . 0.0 110.494 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.4 tp -94.93 141.57 28.5 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.402 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 24.7 t70 -54.27 137.36 41.51 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 124.022 0.826 . . . . 0.0 111.058 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.412 ' O ' ' HD2' ' A' ' 80' ' ' ARG . . . -60.47 -33.0 71.94 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.559 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 21.6 t70 -80.82 -20.14 43.1 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 121.744 -0.597 . . . . 0.0 111.086 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.68 -24.88 15.85 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.559 ' NH1' ' HA ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -62.24 -23.02 66.43 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.071 0.462 . . . . 0.0 111.176 -178.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 . . . . . 0 CA--C 1.542 0.658 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.845 -179.788 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm . . . . . 0 C--O 1.24 0.599 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 67.9 mt -117.35 131.84 56.71 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.427 0.632 . . . . 0.0 112.044 -170.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.6 t -110.81 116.52 52.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 74' ' ' VAL . 38.4 tp -102.2 128.75 48.57 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -177.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.43 108.29 16.49 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.6 mt -80.89 -23.21 39.15 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -176.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -79.44 -33.3 42.62 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -176.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -71.41 -36.89 71.51 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.448 HD21 HD22 ' A' ' 25' ' ' LEU . 35.1 tp -63.97 -36.81 85.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.317 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.85 69.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.429 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 p -89.99 -5.31 56.8 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t -82.55 128.31 67.17 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -38.68 138.67 0.49 Allowed 'Trans proline' 0 C--O 1.261 1.647 0 C-N-CA 124.588 3.525 . . . . 0.0 114.742 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.43 -23.97 63.12 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 124.551 1.14 . . . . 0.0 112.352 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -57.12 -34.53 68.47 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.204 0.526 . . . . 0.0 111.056 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -110.54 -53.84 2.65 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.841 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -90.39 -11.49 40.35 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -172.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.45 -65.21 3.44 Favored Glycine 0 CA--C 1.535 1.297 0 N-CA-C 114.195 0.438 . . . . 0.0 114.195 -175.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -62.7 -24.39 74.77 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.443 2.095 . . . . 0.0 112.365 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.448 HD22 HD21 ' A' ' 14' ' ' LEU . 4.9 tt -75.21 -41.41 57.79 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 80.1 mt-30 -59.18 -39.76 83.56 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 121.097 0.475 . . . . 0.0 110.189 176.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -65.02 -43.68 91.66 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.433 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.452 ' O ' HG12 ' A' ' 32' ' ' ILE . 52.5 t80 -56.8 -51.16 70.03 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 174.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.491 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -55.93 -48.19 76.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.428 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.08 70.36 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.231 0.613 . . . . 0.0 111.62 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.9 m -73.13 -30.24 63.46 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.433 0.635 . . . . 0.0 109.767 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 49.8 mm -83.96 -31.52 8.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.681 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 27.6 mt-30 -49.46 -44.19 45.6 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.996 0.518 . . . . 0.0 111.769 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.4 p -64.14 -36.02 82.68 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -176.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 3.5 pt20 -78.59 -23.0 46.23 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.012 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -86.49 2.77 46.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.505 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.03 17.33 13.06 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.997 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 t70 75.88 -52.46 0.63 Allowed 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 125.651 1.58 . . . . 0.0 112.442 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.09 -5.89 59.31 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.011 -1.449 . . . . 0.0 113.349 -175.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -86.4 64.72 8.69 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 171.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.88 -2.08 3.19 Favored Glycine 0 N--CA 1.431 -1.7 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.382 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -80.3 -53.48 6.6 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 172.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.8 m -123.93 131.1 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.63 0 CA-C-N 113.17 -1.832 . . . . 0.0 106.234 171.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.451 ' HG ' HG23 ' A' ' 46' ' ' ILE . 42.1 tp -97.64 118.19 33.62 Favored 'General case' 0 C--N 1.281 -2.4 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -176.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -91.29 102.51 15.22 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.451 HG23 ' HG ' ' A' ' 44' ' ' LEU . 2.4 pp -131.88 -179.93 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -175.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -103.48 163.7 12.12 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.111 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.609 ' NE2' ' H ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -64.85 -26.4 68.31 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.746 175.627 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.93 -38.87 87.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.612 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.52 -29.3 56.69 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.991 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.02 -37.61 88.06 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 48' ' ' GLN . 12.0 mmm180 -60.37 -44.05 96.0 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.031 177.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.539 ' O ' HG13 ' A' ' 57' ' ' ILE . 15.8 m -58.84 -47.3 85.34 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.068 178.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.9 mt -54.6 -49.04 71.37 Favored 'General case' 0 CA--C 1.516 -0.364 0 O-C-N 123.901 0.751 . . . . 0.0 111.287 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.11 -37.17 69.04 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.757 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.0 t -70.61 -38.05 71.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.668 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 53' ' ' THR . 34.3 mt -62.74 -38.46 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 -176.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.23 1.27 47.11 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.293 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 53.13 64.12 1.98 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.861 1.264 . . . . 0.0 109.464 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -140.97 147.12 38.25 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.629 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 t -63.81 140.15 97.77 Favored Pre-proline 0 C--N 1.307 -1.277 0 O-C-N 123.641 0.588 . . . . 0.0 109.978 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.51 -34.24 71.47 Favored 'Trans proline' 0 C--N 1.362 1.247 0 C-N-CA 123.15 2.567 . . . . 0.0 111.744 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 m -60.84 -53.35 58.41 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.244 0.618 . . . . 0.0 110.037 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.441 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 36.5 t -66.65 -39.43 83.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.727 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.44 -50.27 73.56 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.689 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -60.0 -46.51 89.23 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.511 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.17 -35.58 81.24 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 27.7 mm-40 -59.43 -53.99 51.76 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.9 0.381 . . . . 0.0 110.086 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mp -54.21 -43.47 70.83 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.226 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.3 mt -67.82 -38.53 80.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 m -72.6 -22.95 60.89 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.895 0.378 . . . . 0.0 111.151 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -86.49 -15.72 39.23 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 120.916 0.389 . . . . 0.0 110.026 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.69 22.48 55.76 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.425 ' O ' HD12 ' A' ' 9' ' ' LEU . 24.1 m -101.09 -8.06 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.452 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.2 tp -142.21 152.09 42.77 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -89.17 156.62 18.68 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.65 -16.69 64.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.174 0.989 . . . . 0.0 113.177 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -71.9 -27.75 63.04 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.424 0.63 . . . . 0.0 110.431 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.7 -24.24 65.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.794 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -58.1 -23.68 55.74 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.63 0.772 . . . . 0.0 111.478 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.869 -178.121 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.503 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' ' 45' ' ' SER . 2.7 mm? -82.01 97.56 8.17 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.187 0.517 . . . . 0.0 111.117 -173.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -89.81 117.22 32.69 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.85 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -112.99 126.86 55.95 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -82.53 115.31 21.46 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.5 mt -78.12 -26.39 47.92 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -73.9 -44.69 54.45 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -70.35 -29.17 65.79 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.99 -29.27 70.18 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.072 177.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.89 -6.68 59.34 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.115 0.484 . . . . 0.0 110.455 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -94.32 -20.48 19.73 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.243 0.544 . . . . 0.0 109.823 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -93.88 134.02 26.84 Favored Pre-proline 0 N--CA 1.434 -1.267 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -20.98 115.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.372 1.774 1 C-N-CA 126.586 4.857 . . . . 0.0 116.728 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.58 -23.25 66.92 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.815 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 1.6 pm0 -75.32 -12.55 60.29 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.525 -0.734 . . . . 0.0 112.105 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -109.43 -47.94 3.32 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.902 0.382 . . . . 0.0 110.545 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -90.9 -11.56 38.79 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -44.57 -57.66 5.05 Favored Glycine 0 N--CA 1.484 1.857 0 N-CA-C 114.986 0.754 . . . . 0.0 114.986 -176.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -48.49 -44.14 30.97 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.968 2.446 . . . . 0.0 112.467 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.8 tp -72.48 -39.19 67.89 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.969 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 96.4 mt-30 -55.57 -42.11 74.25 Favored 'General case' 0 C--O 1.244 0.816 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 27.2 mtm180 -68.52 -51.14 46.36 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.028 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CE2' HD11 ' A' ' 54' ' ' LEU . 82.3 t80 -53.66 -44.94 70.06 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.86 0.864 . . . . 0.0 110.872 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.28 -48.29 79.28 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 123.167 0.587 . . . . 0.0 111.593 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.36 82.25 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.499 0.666 . . . . 0.0 109.992 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.0 m -63.5 -47.05 83.3 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.831 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.6 mm -64.64 -39.93 87.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.224 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 45.6 mt-30 -64.18 -38.43 91.04 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.487 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.0 m -65.48 -44.36 87.34 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.428 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.07 -36.02 82.63 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -78.25 -17.14 57.08 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.18 31.81 45.98 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.26 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 17.8 t70 -143.67 101.46 3.77 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 123.013 0.525 . . . . 0.0 109.619 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -97.11 83.54 3.36 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.14 -45.66 66.33 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.169 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.55 -26.37 2.3 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 114.985 0.754 . . . . 0.0 114.985 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -87.47 -60.01 2.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 117.453 0.627 . . . . 0.0 110.095 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 m -133.22 168.0 25.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.964 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.5 tp -135.77 150.82 49.6 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 41.2 m -140.49 110.47 6.51 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.489 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -113.95 175.12 2.42 Favored 'Isoleucine or valine' 0 C--O 1.25 1.098 0 CA-C-O 121.122 0.487 . . . . 0.0 110.912 -179.286 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -85.65 163.98 17.96 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.21 -176.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 67.2 mt-30 -64.04 -34.43 78.0 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.91 0.862 . . . . 0.0 109.134 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.04 -34.81 78.86 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.046 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -74.54 -36.96 63.15 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.43 -30.46 71.24 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.419 0.628 . . . . 0.0 109.829 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 82.0 mtt180 -65.63 -33.4 75.82 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.043 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.476 ' O ' HG13 ' A' ' 57' ' ' ILE . 18.6 m -65.87 -39.62 90.85 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.372 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 28' ' ' TYR . 10.2 mp -60.51 -39.24 87.06 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.12 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.95 -28.63 70.21 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.579 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -79.26 -35.66 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 53' ' ' THR . 47.0 mt -62.42 -48.97 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-O 121.486 0.66 . . . . 0.0 109.972 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -91.23 -2.17 57.53 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.392 -174.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.5 t70 50.34 67.44 0.92 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.362 1.465 . . . . 0.0 111.661 -176.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -139.63 173.5 11.47 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.068 -1.424 . . . . 0.0 108.35 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.7 p -90.01 144.95 32.14 Favored Pre-proline 0 C--N 1.299 -1.63 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.55 -31.35 58.78 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.815 2.343 . . . . 0.0 112.128 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.7 t -61.81 -56.77 15.99 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.4 p -72.24 -26.02 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.495 0.664 . . . . 0.0 110.404 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.5 tm? -63.15 -49.96 72.28 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.0 m -64.45 -34.74 78.9 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.628 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.5 -48.3 77.48 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.751 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -62.44 -51.76 66.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.201 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 65' ' ' LEU . 4.4 mm? -55.71 -43.6 76.67 Favored 'General case' 0 C--O 1.249 1.026 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 77' ' ' ALA . 87.2 mt -73.22 -37.49 52.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.77 178.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -66.05 -24.42 66.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 36.3 m0 -82.92 -15.71 50.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.048 0.452 . . . . 0.0 110.169 176.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.18 15.96 80.33 Favored Glycine 0 CA--C 1.499 -0.958 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.013 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.8 m -93.19 -24.76 5.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.2 tp -111.98 149.41 32.02 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.88 143.77 43.67 Favored 'General case' 0 C--N 1.308 -1.23 0 O-C-N 123.92 0.763 . . . . 0.0 110.337 -177.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.44 ' HA ' HD13 ' A' ' 70' ' ' ILE . . . -69.94 -24.12 63.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -176.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -85.57 -27.1 25.75 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.0 0.428 . . . . 0.0 111.81 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.65 38.84 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.436 1.094 . . . . 0.0 112.823 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -64.68 -20.94 66.6 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.178 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 . . . . . 0 N--CA 1.469 0.514 0 CA-C-O 121.236 0.541 . . . . 0.0 110.807 -177.745 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm . . . . . 0 CA--C 1.499 -1.002 0 CA-C-O 121.214 0.53 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' A' ' 51' ' ' LEU . 2.8 mm? -89.44 97.22 11.07 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.699 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.2 t -103.65 112.73 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.023 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.7 tp -90.69 108.23 19.68 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 11.5 t70 -72.37 105.81 4.25 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.3 mt -75.83 -25.91 56.71 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.455 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -67.39 -46.63 72.68 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.9 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -70.4 -33.62 71.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.091 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -61.58 -36.59 81.09 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.667 -178.575 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.93 -9.51 52.31 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.929 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 m -104.1 -0.77 28.25 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.041 0.924 . . . . 0.0 109.463 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.4 t -88.93 136.47 30.62 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -46.06 124.13 7.07 Favored 'Trans proline' 0 C--O 1.252 1.22 0 C-N-CA 123.1 2.533 . . . . 0.0 112.416 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.96 -18.3 56.4 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.874 0.87 . . . . 0.0 111.623 -177.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.7 -27.18 66.21 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.198 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -117.18 -31.24 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.17 0.51 . . . . 0.0 110.617 177.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.74 -17.06 54.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.54 -65.55 2.54 Favored Glycine 0 CA--C 1.534 1.25 0 N-CA-C 115.217 0.847 . . . . 0.0 115.217 -176.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -68.2 -20.69 43.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 122.148 1.899 . . . . 0.0 111.707 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.0 tp -71.43 -44.87 64.03 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.686 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -65.12 -38.15 89.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.762 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 2.5 mmp_? -60.8 -47.56 85.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.548 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -55.68 -65.06 0.66 Allowed 'General case' 0 CA--C 1.498 -1.023 0 CA-C-O 121.684 0.754 . . . . 0.0 110.065 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.3 -46.17 17.89 Favored 'General case' 0 C--N 1.28 -2.453 0 CA-C-N 113.253 -1.794 . . . . 0.0 113.191 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.93 -46.37 68.41 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 122.309 -0.245 . . . . 0.0 110.934 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 31.9 m -62.63 -43.49 98.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.707 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 mm -59.1 -48.43 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.041 0 O-C-N 123.167 0.292 . . . . 0.0 110.344 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.88 -32.75 74.37 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.9 m -69.59 -39.4 77.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.014 0.435 . . . . 0.0 110.08 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 31' ' ' THR . 28.1 mm-40 -71.94 -35.52 69.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 109.85 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . 5.5 mmm180 -73.0 -27.7 61.93 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.748 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.78 -41.62 2.99 Favored Glycine 0 C--N 1.307 -1.052 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.428 ' OD1' ' HB3' ' A' ' 36' ' ' ARG . 11.8 p-10 -85.55 98.87 10.88 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 122.319 1.057 . . . . 0.0 112.259 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -93.72 107.14 19.05 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -72.84 -51.79 17.43 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.79 -46.37 2.51 Favored Glycine 0 N--CA 1.439 -1.163 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.986 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -74.52 -53.87 8.63 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 121.692 0.758 . . . . 0.0 109.934 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.6 m -138.13 174.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.2 tp -143.89 124.51 14.07 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.3 t -101.33 111.57 23.83 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.531 ' HB ' ' CB ' ' A' ' 50' ' ' ASP . 33.3 pt -110.69 164.41 6.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.259 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -78.42 174.35 11.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.902 0.382 . . . . 0.0 110.363 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -68.41 -31.73 71.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 174.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.45 -37.45 87.57 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.926 -1.488 . . . . 0.0 110.724 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.531 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 9.2 m-20 -69.39 -38.7 78.09 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.083 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.423 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 44.8 tp -55.83 -43.18 76.73 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.503 0.668 . . . . 0.0 109.885 177.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' O ' HG23 ' A' ' 56' ' ' VAL . 79.6 mtp180 -66.05 -35.03 79.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.641 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.462 ' O ' HG13 ' A' ' 57' ' ' ILE . 87.7 m -61.96 -41.37 97.91 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.626 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.7 mp -55.15 -45.49 75.68 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.17 0.51 . . . . 0.0 110.592 176.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -33.83 75.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.361 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 52' ' ' ARG . 59.4 t -70.85 -34.91 57.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.349 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 53' ' ' THR . 49.5 mt -61.18 -44.29 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.571 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.502 ' HB2' ' HG2' ' A' ' 60' ' ' GLN . 4.7 m-85 -96.36 -3.27 44.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.222 -173.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 55.85 64.78 1.63 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.924 1.345 . . . . 0.0 109.914 -172.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.502 ' HG2' ' HB2' ' A' ' 58' ' ' TYR . 28.0 mm-40 -124.71 156.98 36.75 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 113.693 -1.594 . . . . 0.0 108.31 -179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 m -87.23 131.56 44.05 Favored Pre-proline 0 C--N 1.28 -2.454 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 176.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -46.35 -33.36 12.3 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 123.954 3.103 . . . . 0.0 114.474 -176.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.642 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 24.1 m -57.9 -49.99 74.85 Favored 'General case' 0 C--O 1.204 -1.304 0 O-C-N 123.439 0.462 . . . . 0.0 110.745 177.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.69 -29.51 23.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.329 0.585 . . . . 0.0 109.681 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.82 -44.8 93.84 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.801 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.467 ' O ' HG13 ' A' ' 70' ' ' ILE . 13.3 p -67.24 -41.96 84.76 Favored 'General case' 0 N--CA 1.408 -2.566 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.684 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 63' ' ' SER . 4.6 mm-40 -59.51 -41.85 90.84 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 123.909 0.755 . . . . 0.0 109.873 -177.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -55.77 -55.6 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.054 0.542 . . . . 0.0 110.832 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD23 ' CZ3' ' A' ' 72' ' ' TRP . 92.3 mt -61.75 -36.23 80.4 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.81 -177.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 66' ' ' THR . 80.6 mt -67.84 -43.64 85.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.1 m -66.36 -28.06 68.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.263 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.501 ' CZ3' HD23 ' A' ' 69' ' ' LEU . 40.3 m0 -80.46 -16.62 53.91 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.614 0.721 . . . . 0.0 109.665 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.28 23.68 31.17 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.746 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.72 -47.25 12.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-O 121.196 0.522 . . . . 0.0 110.603 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 36.0 tp -109.44 159.06 17.35 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.572 -175.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -100.86 156.31 17.44 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.0 -20.1 65.66 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.358 0.663 . . . . 0.0 111.985 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -57.03 -34.58 68.34 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.568 0.747 . . . . 0.0 110.629 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.66 -24.75 67.92 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.109 -0.95 . . . . 0.0 113.019 -177.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.4 mtp-105 -63.88 -23.6 67.41 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.128 0.489 . . . . 0.0 110.314 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 . . . . . 0 C--O 1.212 -0.89 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.955 179.751 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt . . . . . 0 C--O 1.251 1.135 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.4 mt -92.3 115.99 28.57 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.948 -172.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.1 t -93.79 114.05 29.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.156 -177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.2 tp -101.9 124.13 47.0 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -91.09 113.91 26.3 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.7 mt -80.18 -19.41 47.16 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.748 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -80.77 -41.46 23.41 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.968 0.89 . . . . 0.0 108.685 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -64.74 -38.63 91.63 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.508 -1.223 . . . . 0.0 107.759 176.449 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.6 -28.76 69.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.223 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.51 -12.25 60.0 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -97.53 -1.46 43.95 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-O 121.845 0.831 . . . . 0.0 108.993 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.6 t -97.67 128.57 33.91 Favored Pre-proline 0 C--N 1.313 -1.002 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -36.76 130.98 0.45 Allowed 'Trans proline' 0 C--O 1.254 1.29 0 C-N-CA 124.631 3.554 . . . . 0.0 113.864 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.7 -18.69 55.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.433 -176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -63.78 -35.85 81.95 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.323 0.582 . . . . 0.0 109.566 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -98.85 -46.18 5.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.449 0.642 . . . . 0.0 109.734 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.15 -8.98 58.36 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.61 -66.72 2.61 Favored Glycine 0 N--CA 1.472 1.066 0 N-CA-C 114.192 0.437 . . . . 0.0 114.192 -176.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.89 -24.36 74.26 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.361 2.041 . . . . 0.0 111.986 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 23.0 tp -71.43 -46.29 60.46 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -62.76 -38.96 92.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.408 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -60.76 -47.61 85.54 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.816 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -71.4 -34.17 70.13 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.006 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.79 95.84 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.59 0.356 . . . . 0.0 110.496 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.22 92.33 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.59 0.709 . . . . 0.0 109.725 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.6 m -63.41 -40.27 96.73 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.302 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.51 -40.21 87.48 Favored 'Isoleucine or valine' 0 C--O 1.246 0.903 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.516 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.26 -39.26 89.7 Favored 'General case' 0 C--O 1.208 -1.111 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.551 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.6 t -62.52 -43.14 99.54 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -56.99 -50.22 73.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.244 0.545 . . . . 0.0 111.02 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -79.96 -10.65 59.79 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.3 34.74 90.73 Favored Glycine 0 CA--C 1.516 0.145 0 N-CA-C 108.701 -1.759 . . . . 0.0 108.701 -172.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -85.81 149.3 25.35 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.426 -0.887 . . . . 0.0 110.465 -172.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -136.04 20.93 3.24 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.94 -173.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -73.71 -65.92 0.77 Allowed 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.758 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.12 -16.02 18.86 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.354 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -98.48 -62.3 1.26 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.052 0.453 . . . . 0.0 109.977 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.39 140.26 46.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.3 tp -120.88 127.36 51.8 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.1 t -95.4 118.9 32.97 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.3 pt -124.83 167.61 18.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.709 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -111.94 175.38 5.45 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.333 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -65.91 -30.9 71.57 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -69.28 -27.13 65.14 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -73.43 -57.07 4.26 Favored 'General case' 0 CA--C 1.485 -1.525 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.3 tp -57.46 -35.5 70.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.118 -174.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -65.37 -29.8 70.55 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.082 0.467 . . . . 0.0 110.75 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.461 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.1 m -72.21 -37.15 69.28 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.584 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.43 -34.0 75.91 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.312 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.04 86.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.92 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.81 -37.44 78.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.867 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 53' ' ' THR . 44.3 mt -65.82 -42.56 92.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.661 -178.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 6.0 m-85 -90.62 -1.45 57.88 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.083 0.468 . . . . 0.0 110.787 -175.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 68.75 48.61 0.76 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.783 1.233 . . . . 0.0 110.876 174.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -134.08 156.67 47.84 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.915 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.0 m -76.58 143.28 71.74 Favored Pre-proline 0 C--N 1.302 -1.458 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -42.47 -40.83 7.56 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 124.142 3.228 . . . . 0.0 114.408 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.6 p -60.4 -52.99 62.88 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-O 121.162 0.506 . . . . 0.0 111.267 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.03 -44.23 97.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 C-N-CA 123.735 0.814 . . . . 0.0 109.421 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.433 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.4 tm? -56.46 -45.66 80.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.747 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.2 m -59.1 -46.2 88.91 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.799 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -64.92 -39.36 93.39 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.739 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.14 -53.43 58.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 65' ' ' LEU . 4.1 mm? -58.04 -41.88 84.19 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.77 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 93.4 mt -71.14 -35.11 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.9 m -65.77 -33.43 75.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.624 0.249 . . . . 0.0 110.939 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -78.5 -13.28 59.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.03 0.443 . . . . 0.0 110.599 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.26 19.18 79.57 Favored Glycine 0 CA--C 1.505 -0.575 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.975 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.8 m -96.0 -25.48 4.38 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.31 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 69' ' ' LEU . 48.0 tp -111.84 135.38 52.53 Favored 'General case' 0 N--CA 1.422 -1.875 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 177.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -63.37 129.87 42.06 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 123.919 0.762 . . . . 0.0 109.674 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.11 -36.21 18.29 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 124.283 1.033 . . . . 0.0 112.545 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -53.83 -23.98 14.09 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.427 1.091 . . . . 0.0 112.935 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.01 -25.52 58.68 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.179 0.592 . . . . 0.0 112.114 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -23.54 66.62 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.872 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 . . . . . 0 C--O 1.239 0.545 0 CA-C-O 121.088 0.471 . . . . 0.0 111.263 177.625 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm . . . . . 0 CA--C 1.496 -1.129 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.9 mt -108.21 114.64 28.67 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.85 126.11 64.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 CA-C-O 121.356 0.598 . . . . 0.0 111.585 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.1 mt -106.64 123.15 47.69 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.617 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.15 104.02 8.46 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 173.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.39 -26.84 64.84 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.295 0.569 . . . . 0.0 110.465 -178.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.86 -37.55 81.99 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.119 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -75.21 -34.4 61.48 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.92 -31.3 72.35 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.686 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.2 -7.34 53.58 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.234 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -92.38 -13.93 29.41 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 122.116 0.96 . . . . 0.0 108.73 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.9 t -84.22 137.3 39.9 Favored Pre-proline 0 C--N 1.312 -1.04 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.8 135.41 13.6 Favored 'Trans proline' 0 C--N 1.363 1.333 0 C-N-CA 123.34 2.693 . . . . 0.0 112.119 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.16 -18.81 62.05 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 123.656 0.782 . . . . 0.0 112.566 -174.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.42 -40.22 90.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.938 0.399 . . . . 0.0 110.192 175.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -99.51 -35.33 9.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.769 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.37 -35.62 73.63 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.871 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.58 -56.43 22.24 Favored Glycine 0 CA--C 1.534 1.273 0 CA-C-O 119.537 -0.591 . . . . 0.0 114.28 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.65 -30.52 66.42 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 122.84 2.36 . . . . 0.0 112.683 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -83.68 -35.24 24.67 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.864 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 12.7 mm-40 -63.09 -32.78 74.24 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-O 120.806 0.336 . . . . 0.0 110.958 175.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -61.19 -40.17 92.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.231 0.539 . . . . 0.0 111.139 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.504 ' O ' HG12 ' A' ' 32' ' ' ILE . 51.4 t80 -72.25 -44.47 62.81 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -59.85 -43.74 94.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.93 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.77 84.16 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.653 0.74 . . . . 0.0 110.184 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.426 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 75.2 m -69.77 -41.95 74.46 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.277 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 28' ' ' TYR . 51.7 mm -60.2 -46.33 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 98.2 mt-30 -53.34 -56.48 16.39 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.229 0.538 . . . . 0.0 110.396 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.0 p -66.32 -39.11 89.06 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 31' ' ' THR . 80.6 mm-40 -69.51 -30.29 68.11 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 42.5 mtm180 -83.9 -21.62 31.86 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.57 19.27 68.85 Favored Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -176.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -124.37 118.32 26.45 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 123.391 0.676 . . . . 0.0 109.892 -174.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -97.9 104.84 16.91 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -128.25 119.65 25.59 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.95 16.37 23.11 Favored Glycine 0 C--N 1.304 -1.223 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.407 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -60.74 1.47 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.189 0.519 . . . . 0.0 109.936 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 m -136.28 152.9 30.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 tp -134.27 113.33 11.85 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.1 p -93.39 107.44 19.27 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-O 121.753 0.787 . . . . 0.0 110.058 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 pt -104.23 -179.58 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.552 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.74 -175.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -100.72 169.08 9.26 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.78 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -60.69 -30.03 69.68 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.471 175.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.61 -30.96 64.79 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.932 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 51.3 m-20 -70.19 -47.34 61.96 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.745 -177.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 tp -63.1 -35.99 82.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.425 0.631 . . . . 0.0 109.776 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -64.16 -44.57 91.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.137 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.545 ' O ' HG13 ' A' ' 57' ' ' ILE . 91.7 m -62.81 -38.63 91.46 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.082 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 50' ' ' ASP . 87.6 mt -57.17 -44.9 83.95 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.161 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.09 70.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.987 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.7 t -73.24 -41.21 58.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.929 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 53' ' ' THR . 39.4 mt -62.77 -51.11 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 121.164 0.507 . . . . 0.0 110.619 -178.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -83.49 -10.5 58.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.365 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.5 t70 62.9 59.06 1.42 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.785 1.234 . . . . 0.0 110.133 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -129.99 148.08 51.81 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.121 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m -69.84 142.13 90.59 Favored Pre-proline 0 C--N 1.301 -1.511 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -43.95 -45.54 11.48 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 124.015 3.143 . . . . 0.0 114.527 -176.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.492 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 44.5 t -62.82 -57.1 12.06 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.866 -0.111 . . . . 0.0 111.032 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.435 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 34.3 m -65.44 -33.84 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -176.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.52 -46.53 89.55 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 m -66.41 -37.8 86.03 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.676 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 63' ' ' SER . 38.5 mt-10 -57.64 -45.03 86.0 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.356 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.453 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -53.72 -59.82 4.12 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 123.849 0.718 . . . . 0.0 109.742 178.366 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.3 -40.81 78.6 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 98.7 mt -67.1 -41.86 87.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.97 0.414 . . . . 0.0 110.725 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.3 m -70.0 -32.77 71.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.462 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -72.48 -17.49 61.76 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.24 12.68 78.48 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.5 t -83.4 -38.89 14.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.511 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 48.9 tp -118.43 156.08 29.65 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -106.28 175.07 5.62 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.794 -1.162 . . . . 0.0 109.806 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -61.69 -42.76 99.36 Favored 'General case' 0 C--O 1.207 -1.141 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -171.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -47.27 -25.96 1.09 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.006 1.322 . . . . 0.0 114.058 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.42 -31.88 69.68 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.574 0.349 . . . . 0.0 111.767 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 7.3 ptm180 -69.81 -27.92 65.28 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 121.2 0.524 . . . . 0.0 109.725 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? . . . . . 0 C--N 1.321 -0.667 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 179.433 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttm . . . . . 0 N--CA 1.443 -0.793 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.1 108.95 20.21 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 60.9 t -89.39 112.99 25.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.367 -176.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.8 tp -94.6 104.73 16.67 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.01 107.36 8.16 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -75.6 -28.82 59.05 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.391 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -63.88 -44.67 92.34 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.955 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -70.06 -47.75 60.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.585 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 tp -55.14 -41.52 71.87 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.702 0.801 . . . . 0.0 112.264 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.72 -17.3 64.78 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.0 m -91.52 -16.73 26.76 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-O 121.428 0.633 . . . . 0.0 110.491 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -77.96 129.92 74.48 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -44.6 139.59 7.04 Favored 'Trans proline' 0 C--N 1.366 1.45 0 C-N-CA 123.942 3.094 . . . . 0.0 113.998 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.18 -26.23 62.52 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 124.489 1.116 . . . . 0.0 112.062 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.11 -21.93 66.73 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.791 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -111.17 -52.65 2.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.903 0.382 . . . . 0.0 110.541 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.36 2.13 33.59 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -172.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.95 -60.81 8.25 Favored Glycine 0 N--CA 1.474 1.185 0 N-CA-C 114.448 0.539 . . . . 0.0 114.448 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.87 -22.37 63.29 Favored 'Trans proline' 0 C--O 1.244 0.811 0 C-N-CA 121.85 1.7 . . . . 0.0 111.635 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.0 tp -75.44 -41.51 55.65 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.853 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -62.74 -40.67 97.96 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -60.64 -50.06 75.03 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.224 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.451 ' O ' HG13 ' A' ' 32' ' ' ILE . 3.3 t80 -62.56 -45.16 94.19 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.739 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.35 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.866 0.467 . . . . 0.0 111.244 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.57 71.51 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.202 0.525 . . . . 0.0 110.429 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.416 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 41.1 m -71.85 -40.55 68.96 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.427 -0.806 . . . . 0.0 108.983 177.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 28' ' ' TYR . 62.5 mt -61.7 -41.46 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 176.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.82 -42.09 88.36 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.669 176.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.4 t -64.72 -44.73 89.24 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 31' ' ' THR . 96.1 mt-30 -64.43 -24.05 67.49 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.217 0.607 . . . . 0.0 111.381 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -95.11 -19.66 19.94 Favored 'General case' 0 C--N 1.313 -0.983 0 O-C-N 122.19 -0.319 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.78 40.01 58.88 Favored Glycine 0 C--O 1.238 0.374 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -89.87 142.76 27.39 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.277 -0.961 . . . . 0.0 111.82 -174.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -138.51 10.85 2.73 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.752 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -120.87 46.06 2.11 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.601 1.191 . . . . 0.0 108.052 -174.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.25 54.39 3.56 Favored Glycine 0 N--CA 1.434 -1.498 0 CA-C-N 114.348 -1.296 . . . . 0.0 115.58 -175.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -85.45 -44.38 12.79 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.33 144.75 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.833 0 CA-C-N 113.65 -1.614 . . . . 0.0 106.902 174.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.9 tp -125.19 124.1 41.02 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -84.32 107.28 16.52 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.7 pt -98.57 171.42 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.62 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.515 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -103.57 167.2 9.95 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -174.263 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -64.1 -49.14 73.41 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 10.6 t70 -67.66 -26.89 66.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.142 177.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.433 ' HB2' ' HB2' ' A' ' 47' ' ' ARG . 2.6 t70 -68.73 -46.97 67.51 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.56 -34.84 76.53 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.842 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.488 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 75.4 ttt180 -53.78 -43.95 69.69 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.274 1.029 . . . . 0.0 109.087 173.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.7 m -67.09 -49.93 63.35 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.234 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.07 -45.87 82.92 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.789 0.835 . . . . 0.0 113.036 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.41 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . . . -53.59 -39.86 65.2 Favored 'General case' 0 C--O 1.246 0.877 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.83 -32.78 56.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.399 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.44 -32.2 57.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.123 0.487 . . . . 0.0 109.93 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -101.06 7.5 43.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 -174.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 60.98 28.95 18.71 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.666 0.786 . . . . 0.0 111.649 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -103.26 139.24 38.97 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.613 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.5 t -65.74 135.52 95.57 Favored Pre-proline 0 N--CA 1.424 -1.761 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 172.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -49.57 -40.32 45.94 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.27 2.647 . . . . 0.0 112.135 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 m -60.3 -45.56 92.94 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.419 0.687 . . . . 0.0 110.421 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.5 t -74.88 -46.73 39.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.695 -177.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.41 ' HG ' ' HA ' ' A' ' 55' ' ' ALA . 3.2 tm? -55.81 -53.86 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.414 0.686 . . . . 0.0 110.533 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.465 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.3 m -58.37 -45.91 87.35 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.483 0.489 . . . . 0.0 110.812 -178.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.92 -28.36 65.53 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -61.05 -54.3 46.46 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.19 -41.17 87.88 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.433 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 66' ' ' THR . 91.9 mt -61.28 -46.15 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 176.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -65.67 -34.08 77.38 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -70.24 -16.97 63.11 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.977 0.894 . . . . 0.0 109.864 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.43 35.98 6.74 Favored Glycine 0 CA--C 1.483 -1.93 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.4 t -93.4 -48.06 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 CA-C-N 114.647 -0.776 . . . . 0.0 110.175 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.431 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 2.5 pt? -131.92 173.76 10.86 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.33 156.08 33.63 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.881 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.46 -12.89 60.95 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 124.168 0.987 . . . . 0.0 113.545 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.439 ' HA ' ' NH2' ' A' ' 81' ' ' ARG . 26.9 t70 -70.25 -19.61 63.11 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.01 0.524 . . . . 0.0 111.961 -177.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' HB3' HD11 ' A' ' 70' ' ' ILE . . . -44.48 -25.4 0.26 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -176.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -59.72 -29.88 68.43 Favored 'General case' 0 C--O 1.246 0.911 0 O-C-N 122.227 -0.296 . . . . 0.0 110.415 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.439 ' NH2' ' HA ' ' A' ' 78' ' ' ASP . 2.8 mpp_? . . . . . 0 C--O 1.213 -0.817 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.7 mttp . . . . . 0 N--CA 1.435 -1.212 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.5 mt -98.38 118.07 34.23 Favored 'General case' 0 C--N 1.286 -2.16 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -89.25 112.7 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.585 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.6 tp -93.84 121.98 35.85 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -81.52 109.2 15.75 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 41' ' ' GLY . 76.4 mt -80.02 -17.56 52.48 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.677 -175.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.26 -43.08 64.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.2 mmm180 -65.63 -39.63 91.67 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.367 174.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.54 -32.71 74.25 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.378 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.5 -22.73 54.1 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.543 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.41 -25.59 20.31 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.964 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 13' ' ' ARG . 96.9 t -68.12 129.24 93.11 Favored Pre-proline 0 C--O 1.241 0.639 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -45.93 137.94 12.54 Favored 'Trans proline' 0 C--O 1.261 1.648 0 C-N-CA 123.61 2.873 . . . . 0.0 113.664 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.28 -17.3 52.88 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.881 1.273 . . . . 0.0 111.847 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -50.1 -44.93 52.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -106.12 -49.4 3.38 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.387 -174.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.55 -7.52 57.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.77 -65.09 3.67 Favored Glycine 0 N--CA 1.473 1.119 0 N-CA-C 114.271 0.468 . . . . 0.0 114.271 -175.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -60.15 -26.13 81.73 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.575 2.183 . . . . 0.0 112.41 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.71 -39.11 67.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.915 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.79 -38.17 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.277 0.56 . . . . 0.0 109.516 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -70.95 -37.66 72.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.728 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CE2' HD11 ' A' ' 32' ' ' ILE . 84.7 t80 -59.28 -46.4 88.64 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -61.6 -46.62 89.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.244 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.1 72.71 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.303 0.641 . . . . 0.0 110.813 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 85.6 m -63.32 -45.47 91.14 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.907 177.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.543 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 56.2 mt -63.25 -49.31 83.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 27.5 mt-30 -51.7 -53.8 35.2 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.91 0.884 . . . . 0.0 111.498 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 p -63.16 -37.76 88.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.559 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 31' ' ' THR . 28.2 mt-30 -65.96 -41.88 90.68 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 120.592 0.235 . . . . 0.0 110.878 178.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 22.9 mmt180 -77.15 -21.12 54.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.306 0.574 . . . . 0.0 110.492 -177.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.17 23.15 66.59 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -113.03 112.16 23.4 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 115.145 -0.528 . . . . 0.0 110.966 -176.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -100.97 71.91 1.45 Allowed 'General case' 0 N--CA 1.424 -1.771 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 172.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -78.95 -37.93 38.37 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 113.922 -1.49 . . . . 0.0 109.07 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . 68.54 -45.63 0.38 Allowed Glycine 0 C--O 1.21 -1.405 0 N-CA-C 117.943 1.937 . . . . 0.0 117.943 166.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.8 -37.9 67.4 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 117.77 0.785 . . . . 0.0 112.271 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.7 m -144.85 173.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.5 tp -151.09 140.63 21.59 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -95.73 111.46 23.4 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 pt -115.49 161.53 14.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -91.37 169.33 10.89 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 44.6 mt-30 -67.46 -29.7 69.23 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.038 0.923 . . . . 0.0 108.519 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.22 -28.57 62.24 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.276 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.502 ' O ' HD13 ' A' ' 54' ' ' LEU . 11.7 m-20 -63.4 -44.53 94.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 174.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -53.71 -44.4 69.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.177 0.991 . . . . 0.0 109.284 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 43.4 mtp-105 -66.24 -35.38 80.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.073 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.452 ' O ' HG13 ' A' ' 57' ' ' ILE . 31.1 m -69.08 -39.87 78.8 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.079 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 50' ' ' ASP . 8.0 mp -54.05 -43.35 70.15 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.298 0.639 . . . . 0.0 111.317 176.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.89 -36.78 75.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.959 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.93 -42.45 79.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 53' ' ' THR . 42.5 mt -61.92 -48.25 89.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.17 -177.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -90.86 3.81 53.48 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.684 -0.407 . . . . 0.0 111.323 -173.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 57.37 62.52 2.14 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.93 0.892 . . . . 0.0 110.737 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -135.8 171.05 15.02 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.619 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.3 m -92.04 144.36 29.05 Favored Pre-proline 0 C--N 1.296 -1.728 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -51.79 -38.13 66.73 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.862 2.375 . . . . 0.0 112.228 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 5.9 m -58.11 -57.28 13.53 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.681 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.48 -27.15 35.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 121.037 0.446 . . . . 0.0 110.761 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 1.9 tm? -66.17 -40.49 90.54 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 m -67.44 -43.36 81.33 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 63' ' ' SER . 46.1 mt-10 -55.86 -51.61 66.92 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.155 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -57.17 -53.37 58.83 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 123.695 0.622 . . . . 0.0 111.281 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 65' ' ' LEU . 22.8 mt -61.04 -40.97 95.63 Favored 'General case' 0 C--O 1.249 1.06 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.65 -39.5 83.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-O 120.59 0.233 . . . . 0.0 110.455 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.4 m -68.72 -33.95 74.8 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -76.26 -17.54 59.43 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.34 0.59 . . . . 0.0 109.786 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.54 7.27 72.3 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.847 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.472 HG12 ' CB ' ' A' ' 13' ' ' ARG . 23.3 m -81.07 -19.23 11.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.135 0.493 . . . . 0.0 109.72 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.1 tp -129.83 146.09 51.57 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -77.96 151.29 33.75 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -59.9 -31.42 69.79 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.67 -20.76 36.01 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 118.246 0.475 . . . . 0.0 112.21 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.62 -29.84 71.03 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.031 -0.532 . . . . 0.0 112.095 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 7.5 ptm180 -60.9 -34.84 75.28 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.813 0.816 . . . . 0.0 109.968 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 . . . . . 0 N--CA 1.431 -1.377 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.029 -178.894 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 36.3 mtmm . . . . . 0 N--CA 1.426 -1.641 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.12 114.91 11.82 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.663 -175.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.5 t -89.47 122.69 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.292 -177.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.4 mt -106.89 127.07 53.11 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.568 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -79.32 115.26 18.86 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.5 mt -80.37 -25.47 39.14 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -174.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -79.18 -34.8 42.71 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.132 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.2 tpp180 -65.89 -38.48 88.87 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.5 tp -57.62 -40.31 78.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.773 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.65 -21.55 63.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.959 0.409 . . . . 0.0 111.566 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.9 p -94.36 10.41 34.4 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.369 0.604 . . . . 0.0 111.666 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 13' ' ' ARG . 94.3 t -101.13 136.0 19.8 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -38.42 134.86 0.75 Allowed 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 124.781 3.654 . . . . 0.0 114.365 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.14 -22.94 63.48 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.335 1.054 . . . . 0.0 112.789 -176.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.77 -33.39 74.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.618 0.723 . . . . 0.0 110.274 177.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -97.85 -53.8 3.29 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.495 -176.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -91.97 -8.72 45.38 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.16 -58.92 10.94 Favored Glycine 0 N--CA 1.47 0.955 0 O-C-N 123.423 0.452 . . . . 0.0 112.973 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -58.0 -34.12 98.03 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.162 1.908 . . . . 0.0 111.752 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.5 tp -71.94 -28.7 63.63 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.724 -177.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 72.9 mm-40 -58.43 -48.06 81.92 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 175.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -62.21 -51.08 69.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.791 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.49 ' CE2' HD11 ' A' ' 32' ' ' ILE . 84.0 t80 -54.53 -53.84 49.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.793 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.64 99.16 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.446 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.2 77.57 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.989 0.423 . . . . 0.0 111.054 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.6 m -66.91 -44.04 81.78 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.776 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.49 HD11 ' CE2' ' A' ' 28' ' ' TYR . 74.2 mt -56.52 -47.72 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 O-C-N 123.462 0.476 . . . . 0.0 109.725 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -59.46 -57.06 14.64 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.381 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -53.86 -42.89 69.07 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.063 0.945 . . . . 0.0 111.804 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -67.31 -34.02 76.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.903 0.383 . . . . 0.0 111.989 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -91.24 7.02 42.82 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.31 9.09 48.67 Favored Glycine 0 C--N 1.32 -0.333 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.551 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 78.49 139.47 0.07 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.5 1.52 . . . . 0.0 112.428 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -134.6 -177.03 4.42 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.88 -177.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 42' ' ' LYS . 88.1 m-20 -71.35 116.96 12.29 Favored 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.85 21.75 0.59 Allowed Glycine 0 C--N 1.296 -1.682 0 CA-C-N 115.414 -0.812 . . . . 0.0 114.529 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 40' ' ' ASN . 50.8 mtmt -100.58 -49.55 4.17 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 123.631 0.772 . . . . 0.0 109.723 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.4 m -140.49 142.82 30.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.323 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 53.8 tp -122.54 154.86 37.33 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' A' ' 6' ' ' LYS . 20.2 m -135.36 127.78 30.43 Favored 'General case' 0 C--N 1.31 -1.146 0 O-C-N 122.034 -0.417 . . . . 0.0 110.781 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 pp -137.97 176.49 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 122.824 0.45 . . . . 0.0 111.334 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -94.74 167.61 11.34 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.584 0.707 . . . . 0.0 112.111 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -57.34 -38.06 73.54 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.587 -1.188 . . . . 0.0 113.174 -175.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -76.46 -23.72 53.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.631 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -77.17 -42.85 36.04 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.5 tp -64.43 -28.6 69.79 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.203 0.525 . . . . 0.0 110.941 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -67.31 -22.23 65.63 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.95 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.555 ' O ' HG13 ' A' ' 57' ' ' ILE . 22.9 m -61.48 -31.85 71.84 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.595 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.44 -34.86 76.13 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.027 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.19 -33.6 76.39 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.589 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.6 t -75.26 -38.5 41.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.23 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 53' ' ' THR . 48.6 mt -61.54 -50.69 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.793 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.0 -1.83 58.23 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.317 -175.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 53.54 66.16 1.31 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.491 1.138 . . . . 0.0 111.808 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -142.54 167.3 22.41 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 113.774 -1.557 . . . . 0.0 108.212 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.0 t -83.59 147.85 53.5 Favored Pre-proline 0 C--N 1.303 -1.428 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.86 -29.98 45.59 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 123.172 2.581 . . . . 0.0 112.156 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m -56.59 -45.95 81.11 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.189 0.996 . . . . 0.0 112.139 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.5 -28.11 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.216 0.531 . . . . 0.0 109.978 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -64.4 -54.77 27.49 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.052 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 t -63.3 -34.66 78.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.94 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.45 -37.28 86.97 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.852 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -63.88 -54.25 37.74 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 110.617 -0.142 . . . . 0.0 110.617 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.03 -41.39 71.29 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 123.396 0.435 . . . . 0.0 111.974 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.9 mt -72.23 -37.5 59.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.596 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.5 p -68.81 -28.45 66.76 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.811 -0.555 . . . . 0.0 112.001 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.7 m0 -80.82 -16.73 52.97 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-O 121.014 0.435 . . . . 0.0 110.46 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.58 16.18 71.59 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.199 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.1 t -82.92 -36.38 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.4 tp -116.45 144.31 44.47 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -67.55 144.3 55.69 Favored 'General case' 0 C--O 1.241 0.646 0 O-C-N 123.776 0.672 . . . . 0.0 110.598 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.02 -33.97 69.54 Favored 'General case' 0 C--O 1.197 -1.698 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.9 -20.29 33.29 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.62 -24.34 60.82 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.159 0.584 . . . . 0.0 111.82 -178.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 80' ' ' ARG . 12.7 ptm180 -50.59 -31.52 16.15 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.531 1.132 . . . . 0.0 111.958 176.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.684 0.278 . . . . 0.0 111.266 -176.335 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? . . . . . 0 N--CA 1.433 -1.28 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 45' ' ' SER . 67.8 mt -85.11 96.74 9.54 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.253 -175.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.8 t -99.46 112.66 32.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -99.55 129.27 45.7 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.8 t70 -85.25 106.59 16.78 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 mt -75.55 -17.55 60.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.107 -174.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -73.47 -42.65 61.63 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 17' ' ' VAL . 31.1 tpt180 -61.67 -32.88 73.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.255 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.33 -12.34 61.58 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.455 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.73 -29.36 32.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.994 0.426 . . . . 0.0 110.056 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p -88.72 -10.61 47.77 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.31 0.576 . . . . 0.0 111.961 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 13' ' ' ARG . 97.2 t -91.3 132.05 34.93 Favored Pre-proline 0 C--N 1.312 -1.034 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 175.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.06 140.95 6.84 Favored 'Trans proline' 0 C--O 1.253 1.247 0 C-N-CA 123.559 2.84 . . . . 0.0 113.864 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -17.74 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.157 0.983 . . . . 0.0 111.687 -177.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -75.24 -12.32 60.26 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.52 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.413 ' HB3' ' CZ2' ' A' ' 72' ' ' TRP . 54.3 mttm -113.17 -53.07 2.74 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 177.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.95 -7.62 36.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -173.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.508 ' O ' ' HG2' ' A' ' 27' ' ' ARG . . . -59.77 -61.86 6.75 Favored Glycine 0 C--N 1.314 -0.648 0 CA-C-O 119.513 -0.604 . . . . 0.0 113.61 -177.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.42 -22.89 65.53 Favored 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 121.973 1.782 . . . . 0.0 111.81 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.515 ' HB2' ' OH ' ' A' ' 58' ' ' TYR . 4.1 tt -70.57 -46.49 63.4 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 177.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -64.63 -31.42 72.64 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.417 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 35.3 mmt180 -61.32 -50.3 73.53 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 175.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.45 ' O ' HG12 ' A' ' 32' ' ' ILE . 52.5 t80 -56.83 -48.22 78.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.424 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.09 -50.9 71.36 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.363 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.8 83.58 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 68.1 m -61.95 -46.9 87.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.65 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 49.4 mm -59.53 -45.26 94.06 Favored 'Isoleucine or valine' 0 C--O 1.249 1.054 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -57.78 -54.51 46.03 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 123.728 0.642 . . . . 0.0 110.257 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 p -67.91 -31.94 72.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 31' ' ' THR . 81.6 mm-40 -65.65 -41.67 92.3 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.537 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 6.3 ptm180 -88.52 -12.09 43.87 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.008 177.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.67 29.93 74.29 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.691 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -98.01 -170.53 1.99 Allowed 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.162 -176.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -122.36 -178.75 3.97 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -171.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.8 t30 72.41 90.26 0.09 Allowed 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.227 0.955 . . . . 0.0 112.189 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.44 30.41 9.91 Favored Glycine 0 N--CA 1.434 -1.461 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.095 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -95.95 -29.45 14.15 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.096 0.474 . . . . 0.0 109.796 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.5 m -143.38 138.37 26.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 123.938 0.895 . . . . 0.0 109.577 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.5 tp -124.79 124.2 41.62 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 18.8 m -101.52 110.13 22.07 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.461 ' HB ' ' CB ' ' A' ' 50' ' ' ASP . 38.5 pt -105.73 171.3 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -98.73 -178.95 4.14 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.252 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -60.73 -49.96 75.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.664 0.785 . . . . 0.0 111.672 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -69.21 -21.75 63.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.424 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.461 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 78.9 m-20 -70.13 -45.93 65.84 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.382 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.5 tp -60.02 -38.43 82.65 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.744 0.783 . . . . 0.0 109.477 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.2 mtp180 -61.67 -44.3 97.22 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.679 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.3 m -64.83 -34.91 79.49 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.221 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.14 -37.61 83.46 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.115 0.483 . . . . 0.0 111.151 174.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.7 81.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.137 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 52' ' ' ARG . 65.9 t -67.7 -30.13 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.506 -177.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.8 mt -59.16 -41.62 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-O 121.628 0.728 . . . . 0.0 109.475 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.515 ' OH ' ' HB2' ' A' ' 25' ' ' LEU . 7.8 m-85 -97.15 -0.56 46.74 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.663 -175.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 63.52 31.99 14.48 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 122.128 0.966 . . . . 0.0 110.562 -176.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -103.5 166.73 10.25 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.404 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.5 t -89.2 142.88 30.3 Favored Pre-proline 0 C--N 1.29 -2.013 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -54.1 -27.5 46.48 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.459 2.773 . . . . 0.0 113.429 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.7 m -64.44 -56.68 12.63 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 122.53 0.332 . . . . 0.0 111.365 -178.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.35 -26.35 31.33 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 121.609 0.719 . . . . 0.0 109.971 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.4 tm? -65.25 -53.61 41.78 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.706 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.6 t -65.64 -31.92 73.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.316 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -63.92 -44.71 92.08 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 123.114 0.259 . . . . 0.0 110.912 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.85 -46.53 84.6 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.817 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 65' ' ' LEU . 3.5 mm? -52.84 -42.55 65.29 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.862 0.465 . . . . 0.0 112.222 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.2 mt -75.25 -36.56 37.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 120.902 0.382 . . . . 0.0 110.336 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.8 t -73.44 -30.41 63.18 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.413 ' CZ2' ' HB3' ' A' ' 21' ' ' LYS . 45.1 m0 -73.1 -16.65 61.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.322 0.582 . . . . 0.0 109.509 177.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.95 25.12 46.4 Favored Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.583 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.411 HG12 ' HB2' ' A' ' 72' ' ' TRP . 2.9 p -101.23 -31.71 3.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 O-C-N 122.612 -0.346 . . . . 0.0 110.919 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -109.92 146.43 35.19 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.13 148.94 51.19 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.228 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.31 96.48 Favored 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 123.279 0.631 . . . . 0.0 112.378 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.85 -20.03 63.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.421 0.689 . . . . 0.0 111.894 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.18 -23.82 56.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.529 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -43.17 -31.46 0.59 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.331 1.452 . . . . 0.0 112.838 176.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 . . . . . 0 C--O 1.222 -0.392 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -175.673 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm . . . . . 0 N--CA 1.433 -1.286 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.5 mt -107.53 140.82 39.93 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.342 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -97.94 119.98 46.68 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.754 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.8 tp -103.34 126.19 50.37 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -85.52 115.11 23.04 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.05 -28.77 60.53 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -174.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -78.93 -38.21 37.87 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -67.73 -33.81 75.62 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.55 -40.86 88.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.296 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.72 -9.08 58.22 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.601 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 m -92.83 -8.0 44.77 Favored 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 122.051 0.929 . . . . 0.0 109.047 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.501 ' HB ' ' HB2' ' A' ' 22' ' ' ALA . 97.9 t -86.87 140.19 33.05 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.392 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -45.01 141.04 6.62 Favored 'Trans proline' 0 CA--C 1.554 1.517 0 C-N-CA 123.828 3.019 . . . . 0.0 113.385 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.43 63.3 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.198 1.399 . . . . 0.0 113.901 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -69.42 -7.13 34.91 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -123.31 -37.92 2.63 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.079 0.466 . . . . 0.0 110.295 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.501 ' HB2' ' HB ' ' A' ' 17' ' ' VAL . . . -78.41 -39.79 37.87 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.68 -62.24 3.37 Favored Glycine 0 N--CA 1.475 1.287 0 N-CA-C 115.029 0.772 . . . . 0.0 115.029 -173.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.32 -32.93 97.17 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.514 2.143 . . . . 0.0 112.535 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.1 tp -78.17 -33.04 50.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.546 -178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 51.5 mt-30 -66.41 -37.68 85.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -62.25 -48.35 80.36 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.174 174.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.489 ' O ' HG12 ' A' ' 32' ' ' ILE . 37.3 t80 -55.22 -50.55 69.13 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.969 0.793 . . . . 0.0 109.303 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.586 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -58.23 -46.92 85.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.95 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.48 79.66 Favored 'General case' 0 C--O 1.247 0.956 0 C-N-CA 122.729 0.412 . . . . 0.0 110.956 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.8 m -64.64 -48.08 76.15 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.495 HD13 HE21 ' A' ' 35' ' ' GLN . 46.6 mm -56.63 -51.2 69.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 C-N-CA 123.21 0.604 . . . . 0.0 110.934 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.4 mm100 -51.94 -45.81 64.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.606 0.762 . . . . 0.0 110.521 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 m -74.16 -46.16 44.12 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.999 -1.001 . . . . 0.0 112.979 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.495 HE21 HD13 ' A' ' 32' ' ' ILE . 30.0 pt20 -75.27 -30.13 60.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -83.07 -26.29 31.25 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.005 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.27 26.36 36.79 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -127.63 93.46 3.71 Favored 'General case' 0 CA--C 1.489 -1.38 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.175 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -87.44 74.21 9.4 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -81.59 109.99 16.54 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.61 -53.1 47.72 Favored Glycine 0 C--N 1.299 -1.497 0 N-CA-C 117.002 1.561 . . . . 0.0 117.002 -170.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.515 ' HG3' HG13 ' A' ' 43' ' ' VAL . 22.4 tptm -82.83 -50.99 8.06 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 117.644 0.722 . . . . 0.0 112.748 -173.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.515 HG13 ' HG3' ' A' ' 42' ' ' LYS . 35.6 m -127.76 166.19 25.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 CA-C-O 121.011 0.434 . . . . 0.0 111.186 -175.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.505 HD13 ' OE1' ' A' ' 33' ' ' GLN . 51.1 tp -133.84 128.55 34.91 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.0 p -103.89 118.49 36.81 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.439 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 50' ' ' ASP . 33.3 pt -119.79 170.38 9.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.481 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -102.71 179.31 4.32 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.5 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.521 ' NE2' ' H ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -68.58 -23.83 64.53 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.32 177.324 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.481 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 5.3 p-10 -71.72 -27.15 62.81 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 44.8 m-20 -76.44 -44.43 35.81 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 tp -56.15 -47.3 78.46 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.379 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -59.53 -38.31 80.68 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 121.226 0.536 . . . . 0.0 110.101 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.508 ' O ' HG13 ' A' ' 57' ' ' ILE . 87.3 m -67.46 -34.18 76.65 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.874 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 99.1 mt -59.12 -42.75 91.31 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.071 0.462 . . . . 0.0 109.912 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.34 -32.51 73.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.56 -43.01 41.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.457 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 53' ' ' THR . 38.9 mt -71.9 -42.66 69.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.703 -176.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -90.46 -0.7 57.76 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.885 -175.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 48.02 68.3 0.69 Allowed 'General case' 0 C--O 1.244 0.799 0 C-N-CA 125.926 1.69 . . . . 0.0 112.804 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -138.54 144.42 39.91 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 m -63.12 137.45 97.07 Favored Pre-proline 0 C--N 1.288 -2.099 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -45.42 -40.01 17.14 Favored 'Trans proline' 0 N--CA 1.486 1.051 0 C-N-CA 123.93 3.087 . . . . 0.0 114.565 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -61.64 -57.07 13.46 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.228 0.211 . . . . 0.0 110.795 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 14.6 p -66.95 -30.05 48.31 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.136 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.35 -50.19 74.52 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 m -63.32 -40.55 97.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.964 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -59.7 -44.44 93.67 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.211 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 15.1 mm-40 -55.92 -55.34 33.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.031 0.532 . . . . 0.0 110.537 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.54 -41.52 76.95 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.374 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.2 mt -68.09 -40.55 83.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.69 177.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.9 m -66.07 -31.74 72.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.537 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.426 ' HB2' HG23 ' A' ' 74' ' ' VAL . 26.9 m0 -79.44 -16.69 55.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.02 0.438 . . . . 0.0 110.112 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.14 23.23 61.65 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' A' ' 72' ' ' TRP . 57.2 t -93.24 -24.08 5.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.8 tp -124.79 155.61 39.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.001 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.21 150.13 47.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.6 -44.67 64.02 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -59.17 -19.63 46.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.196 1.399 . . . . 0.0 112.604 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.53 -25.03 15.12 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.891 0.877 . . . . 0.0 111.514 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -56.7 -20.88 24.07 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 123.794 0.838 . . . . 0.0 111.813 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 22.2 tpt180 . . . . . 0 C--O 1.243 0.711 0 O-C-N 122.219 -0.301 . . . . 0.0 111.09 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp . . . . . 0 N--CA 1.436 -1.14 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.1 mt -96.05 107.4 19.7 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.08 113.69 26.06 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 CA-C-O 121.476 0.655 . . . . 0.0 111.306 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 tp -94.98 111.56 23.34 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.15 114.65 17.23 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.9 mt -72.27 -37.76 68.98 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 123.249 0.62 . . . . 0.0 111.386 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -75.63 -42.58 51.2 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.185 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 17' ' ' VAL . 22.3 tpt180 -64.69 -40.2 94.96 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.539 HD21 ' HG ' ' A' ' 25' ' ' LEU . 52.8 tp -63.38 -30.63 71.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.071 0.462 . . . . 0.0 110.548 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.91 -19.25 61.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.6 p -95.21 -0.85 52.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.162 0.506 . . . . 0.0 110.827 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 13' ' ' ARG . 92.9 t -89.16 133.43 35.15 Favored Pre-proline 0 C--O 1.244 0.79 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -41.71 130.43 3.96 Favored 'Trans proline' 0 C--O 1.253 1.245 0 C-N-CA 124.174 3.25 . . . . 0.0 114.053 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -17.97 64.07 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.037 0.935 . . . . 0.0 110.74 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -55.5 -34.24 64.43 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 124.407 1.083 . . . . 0.0 110.754 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -122.46 -33.91 3.36 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.988 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.25 -5.75 59.12 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -177.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.01 -62.55 6.16 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 119.766 -0.463 . . . . 0.0 113.808 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -61.89 -24.7 77.38 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 122.336 2.024 . . . . 0.0 112.012 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.539 ' HG ' HD21 ' A' ' 14' ' ' LEU . 29.3 tp -78.14 -35.56 48.85 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.725 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.417 HE21 ' HG ' ' A' ' 14' ' ' LEU . 53.5 mm-40 -62.4 -34.17 76.21 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 110.117 173.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -67.12 -48.83 66.93 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.769 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.495 ' CE1' HD11 ' A' ' 32' ' ' ILE . 45.6 t80 -57.87 -49.11 77.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.497 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.98 91.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.354 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.67 96.22 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.48 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.8 m -61.33 -39.28 89.97 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 123.58 0.55 . . . . 0.0 110.786 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.495 HD11 ' CE1' ' A' ' 28' ' ' TYR . 59.5 mt -66.51 -49.1 77.94 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.194 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -57.78 -33.88 68.99 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 p -70.86 -48.19 55.21 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.51 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -76.47 -18.21 58.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 111.584 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -75.33 -27.28 59.18 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.46 -50.78 2.88 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.407 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.76 101.92 1.8 Allowed 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 123.878 0.871 . . . . 0.0 110.712 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -103.03 89.73 3.53 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.551 0.691 . . . . 0.0 109.754 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -82.23 -34.39 28.89 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.32 -23.54 26.9 Favored Glycine 0 N--CA 1.441 -1.031 0 CA-C-N 115.456 -0.793 . . . . 0.0 114.097 173.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HG3' HG13 ' A' ' 43' ' ' VAL . 27.9 tptp -92.17 -63.87 1.18 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 117.11 0.455 . . . . 0.0 112.034 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.448 HG13 ' HG3' ' A' ' 42' ' ' LYS . 27.2 m -122.94 145.7 29.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.3 tp -127.58 113.97 16.8 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 176.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.2 m -87.79 107.02 18.46 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.37 0.605 . . . . 0.0 111.019 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 pt -101.57 174.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -111.8 177.31 4.69 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 121.174 -0.21 . . . . 0.0 110.762 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -64.48 -31.53 72.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 121.096 0.474 . . . . 0.0 110.568 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.3 -40.18 81.3 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.978 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -73.13 -43.2 61.98 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.399 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.5 tp -55.7 -43.7 76.69 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.44 0.638 . . . . 0.0 109.553 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.408 ' O ' HG23 ' A' ' 56' ' ' VAL . 18.9 tpt180 -61.54 -39.05 89.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.247 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.566 ' O ' HG13 ' A' ' 57' ' ' ILE . 28.5 m -63.79 -49.03 74.5 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.671 0.607 . . . . 0.0 109.569 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mp -52.64 -47.26 67.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.337 0.655 . . . . 0.0 111.157 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.98 -42.11 72.02 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.668 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 52' ' ' ARG . 63.0 t -72.88 -41.03 60.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.955 0.407 . . . . 0.0 110.144 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 53' ' ' THR . 47.6 mt -63.1 -50.84 77.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.745 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -86.83 1.53 52.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.716 -172.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 t70 59.66 58.34 2.91 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 122.334 1.064 . . . . 0.0 110.84 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -139.99 143.46 36.49 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.153 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 m -64.28 141.89 98.22 Favored Pre-proline 0 C--N 1.299 -1.592 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -43.48 -47.53 9.19 Favored 'Trans proline' 0 C--N 1.365 1.425 0 C-N-CA 124.134 3.223 . . . . 0.0 114.235 -176.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.495 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 21.3 m -65.85 -44.45 85.44 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.989 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.88 -41.16 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.373 0.606 . . . . 0.0 109.829 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.75 -40.67 97.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.075 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 57.1 m -64.27 -42.46 96.44 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.29 -0.413 . . . . 0.0 109.975 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 63' ' ' SER . 48.2 mt-10 -59.86 -38.15 81.32 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.63 -56.29 23.85 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 123.485 0.714 . . . . 0.0 111.217 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.43 -36.55 76.1 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.352 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 76.4 mt -71.93 -34.79 52.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.4 t -68.05 -32.44 72.8 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 122.911 0.484 . . . . 0.0 110.497 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 14.7 m0 -87.29 -7.37 57.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.164 0.507 . . . . 0.0 110.05 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.68 27.68 68.75 Favored Glycine 0 CA--C 1.503 -0.699 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.218 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.6 t -93.58 -29.86 4.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.5 tp -111.57 155.51 23.21 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.437 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.49 140.01 57.04 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 123.673 0.789 . . . . 0.0 110.475 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.57 -33.4 74.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -77.71 -23.36 49.45 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 120.851 0.358 . . . . 0.0 111.264 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -25.47 23.18 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -14.77 62.35 Favored 'General case' 0 C--O 1.212 -0.893 0 C-N-CA 118.884 -1.126 . . . . 0.0 111.398 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 . . . . . 0 CA--C 1.514 -0.428 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt . . . . . 0 N--CA 1.43 -1.475 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.4 mt -99.69 118.81 37.0 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.63 113.08 25.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 CA-C-O 121.213 0.53 . . . . 0.0 110.196 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.6 tp -93.64 106.5 18.46 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 12.1 t70 -77.34 111.9 13.49 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.3 mt -77.22 -26.36 52.61 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 120.901 0.382 . . . . 0.0 111.041 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.64 -47.42 66.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.561 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 17' ' ' VAL . 25.9 mmt180 -70.86 -31.17 67.77 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 176.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 1.5 tm? -64.42 -34.31 77.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -68.8 -22.77 64.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.648 176.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -88.64 -3.76 58.71 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-O 121.659 0.742 . . . . 0.0 109.833 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 13' ' ' ARG . 73.6 t -92.36 133.3 30.11 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -39.73 125.32 1.5 Allowed 'Trans proline' 0 C--O 1.254 1.293 0 C-N-CA 124.145 3.23 . . . . 0.0 113.838 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.17 -18.02 59.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.665 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -52.8 -36.11 57.86 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.729 0.811 . . . . 0.0 110.309 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -119.64 -25.53 5.93 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.573 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.66 -4.14 25.56 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -175.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.13 -62.25 6.41 Favored Glycine 0 N--CA 1.468 0.81 0 CA-C-O 119.842 -0.421 . . . . 0.0 112.76 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -58.59 -28.95 87.62 Favored 'Trans proline' 0 C--N 1.363 1.335 0 C-N-CA 122.796 2.331 . . . . 0.0 111.628 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.455 HD23 HD21 ' A' ' 14' ' ' LEU . 22.9 tp -66.16 -40.48 90.55 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.28 -178.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 15' ' ' ALA . 73.2 mt-30 -62.46 -36.5 82.67 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.134 174.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -73.13 -40.85 64.57 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.496 ' CD2' HD21 ' A' ' 54' ' ' LEU . 83.2 t80 -57.05 -49.89 74.44 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 174.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -56.24 -46.01 79.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.272 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.02 -38.64 89.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.186 0.517 . . . . 0.0 111.142 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.5 m -69.21 -43.1 74.78 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.443 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 28' ' ' TYR . 34.3 mm -58.89 -38.76 75.05 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 C-N-CA 123.477 0.711 . . . . 0.0 110.984 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 99.3 mt-30 -56.68 -49.77 74.11 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.872 177.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.7 m -66.15 -34.12 77.31 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.009 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -66.47 -35.84 81.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 mpt_? -82.97 -27.22 30.64 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.382 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.67 2.01 87.56 Favored Glycine 0 N--CA 1.467 0.718 0 CA-C-O 122.039 0.799 . . . . 0.0 111.138 -177.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -130.57 121.42 25.64 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -138.78 167.4 22.08 Favored 'General case' 0 N--CA 1.417 -2.098 0 C-N-CA 119.289 -0.964 . . . . 0.0 111.392 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -151.41 127.16 10.23 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.54 -2.93 90.05 Favored Glycine 0 C--N 1.298 -1.551 0 C-N-CA 120.136 -1.03 . . . . 0.0 113.327 -174.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -100.16 -48.09 4.74 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.784 0.326 . . . . 0.0 110.578 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.7 157.12 38.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.393 . . . . 0.0 110.975 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 tp -134.06 118.99 18.39 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 m -92.02 102.33 14.88 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.529 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.9 pt -101.59 168.76 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -112.48 177.06 4.76 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.741 177.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.599 ' NE2' ' H ' ' A' ' 48' ' ' GLN . 2.1 mp0 -64.03 -36.87 85.4 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 123.445 0.698 . . . . 0.0 110.072 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -65.61 -26.56 67.89 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.859 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -87.38 -39.61 15.14 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 tp -55.1 -33.53 62.89 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.451 1.1 . . . . 0.0 110.337 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 56' ' ' VAL . 67.6 mtp180 -60.6 -28.11 68.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.642 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.519 ' O ' HG13 ' A' ' 57' ' ' ILE . 20.5 m -67.97 -39.42 83.34 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.496 HD21 ' CD2' ' A' ' 28' ' ' TYR . 92.4 mt -61.83 -37.43 84.42 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.595 178.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.74 87.05 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.224 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 52' ' ' ARG . 43.9 t -72.26 -33.24 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.941 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 53' ' ' THR . 29.2 mt -69.31 -48.26 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.586 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -88.03 -1.76 58.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.385 -173.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 67.96 28.07 6.96 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.818 1.247 . . . . 0.0 110.529 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -114.06 165.25 12.82 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.113 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.3 t -90.79 144.58 30.52 Favored Pre-proline 0 C--N 1.305 -1.346 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -46.72 -29.84 8.36 Favored 'Trans proline' 0 C--N 1.366 1.478 0 C-N-CA 124.257 3.304 . . . . 0.0 114.175 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.463 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 4.8 p -60.15 -57.39 13.01 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 122.46 0.304 . . . . 0.0 111.15 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 13.9 p -75.21 -26.06 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.272 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -44.29 96.79 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 m -64.83 -39.02 92.91 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.051 0.453 . . . . 0.0 109.84 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 63' ' ' SER . 50.3 mt-10 -61.99 -35.81 79.63 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.456 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 30.2 mm-40 -51.78 -61.06 2.49 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.766 0.827 . . . . 0.0 110.924 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.24 -35.76 74.25 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.905 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.4 mt -67.75 -49.22 71.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.218 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.4 p -64.69 -32.15 73.69 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -76.86 -16.81 59.31 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.233 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.54 34.35 11.98 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.605 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -108.71 -39.34 4.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -113.3 151.92 30.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.634 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -77.72 148.34 34.95 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.32 80.38 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 123.599 0.76 . . . . 0.0 112.788 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.7 -23.33 66.05 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -175.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -24.79 39.33 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.474 0.709 . . . . 0.0 111.749 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -53.48 -25.17 15.28 Favored 'General case' 0 C--O 1.209 -1.029 0 C-N-CA 124.041 0.937 . . . . 0.0 111.352 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 125.224 1.41 . . . . 0.0 111.167 -178.667 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttp . . . . . 0 CA--C 1.499 -1.003 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 2.5 mp0 -99.27 141.53 23.02 Favored Pre-proline 0 C--N 1.3 -1.576 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -176.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 2' ' ' GLU . 3.0 Cg_exo -74.68 111.99 3.45 Favored 'Trans proline' 0 C--O 1.248 1.005 0 C-N-CA 122.28 1.987 . . . . 0.0 111.923 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -70.25 133.95 25.82 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 122.418 2.079 . . . . 0.0 109.931 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.69 143.88 94.18 Favored 'Trans proline' 0 C--O 1.25 1.101 0 C-N-CA 122.76 2.307 . . . . 0.0 113.478 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -90.2 152.39 21.11 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 172.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -87.15 106.9 18.2 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -99.37 114.97 39.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.14 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -102.38 129.32 48.81 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.217 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -83.44 115.53 22.1 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.7 mt -76.77 -29.71 56.21 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.463 -175.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -77.38 -32.43 54.9 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.909 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -64.23 -40.91 97.01 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 173.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.6 tp -64.3 -30.61 71.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.68 -23.1 63.4 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.017 0.437 . . . . 0.0 110.991 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.0 m -89.84 -5.36 56.94 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 121.906 0.86 . . . . 0.0 109.993 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.8 t -89.46 135.42 31.03 Favored Pre-proline 0 C--N 1.316 -0.877 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . 12.4 Cg_endo -54.28 141.64 70.38 Favored 'Trans proline' 0 C--O 1.262 1.707 0 C-N-CA 123.069 2.513 . . . . 0.0 113.333 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.7 -20.33 33.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.296 1.438 . . . . 0.0 113.891 -173.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.445 ' HG2' ' HB2' ' A' ' 18' ' ' PRO . 7.7 pt-20 -50.54 -41.42 53.89 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.623 0.769 . . . . 0.0 111.585 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 33.6 mtmm -122.8 -24.51 4.82 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.017 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -76.28 -38.49 56.09 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 120.694 -0.403 . . . . 0.0 111.434 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.3 -60.17 4.79 Favored Glycine 0 N--CA 1.473 1.104 0 O-C-N 124.095 0.872 . . . . 0.0 114.309 -175.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -52.61 -39.02 76.7 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 122.889 2.393 . . . . 0.0 112.96 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp -75.78 -38.56 58.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.871 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 93.1 mt-30 -60.99 -33.16 72.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.364 0.602 . . . . 0.0 109.406 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 4.2 mmp_? -74.95 -47.14 31.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.783 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.83 -54.9 27.69 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.538 0.735 . . . . 0.0 110.067 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.92 93.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.612 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.19 86.47 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.203 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.1 m -71.94 -42.08 67.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.719 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 48.7 mm -64.6 -48.17 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.447 ' HB3' ' HB2' ' A' ' 38' ' ' ASP . 13.8 mm100 -62.31 -46.0 90.68 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 p -65.1 -34.05 77.49 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.479 -0.488 . . . . 0.0 112.063 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -81.15 -22.32 39.09 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.643 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 28.3 mmt180 -84.87 -27.83 26.43 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.259 177.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.84 -48.0 0.99 Allowed Glycine 0 C--N 1.314 -0.685 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.447 ' HB2' ' HB3' ' A' ' 33' ' ' GLN . 23.1 t70 80.14 124.06 0.04 OUTLIER 'General case' 0 CA--C 1.504 -0.816 0 C-N-CA 125.61 1.564 . . . . 0.0 114.795 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -147.47 23.43 1.14 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 171.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.642 ' HB3' ' O ' ' A' ' 43' ' ' VAL . 17.0 m120 -104.27 -52.39 2.93 Favored 'General case' 0 CA--C 1.495 -1.161 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.154 -176.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.52 -71.9 0.02 OUTLIER Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.217 0.948 . . . . 0.0 115.423 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -83.05 -39.25 21.46 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 123.312 0.645 . . . . 0.0 111.575 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.642 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 16.5 m -130.37 131.4 65.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -173.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.3 tp -107.89 132.87 53.01 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.3 t -110.98 122.8 48.81 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.8 pt -119.95 179.35 2.09 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -94.11 166.7 12.0 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.99 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -69.44 -40.89 76.94 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 122.022 0.915 . . . . 0.0 108.649 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.49 -30.17 61.72 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.098 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.46 -22.88 61.01 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.138 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.1 tp -64.83 -28.98 69.93 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.363 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -65.8 -21.93 66.53 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.732 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.447 ' O ' HG13 ' A' ' 57' ' ' ILE . 11.4 m -63.49 -42.21 98.54 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.465 HD22 ' OH ' ' A' ' 58' ' ' TYR . 96.1 mt -67.12 -33.06 74.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.047 -177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.01 74.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.554 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.0 t -73.19 -42.66 58.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.461 HD12 HD23 ' A' ' 54' ' ' LEU . 44.6 mt -60.99 -45.93 97.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.73 -177.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.465 ' OH ' HD22 ' A' ' 54' ' ' LEU . 3.3 m-85 -89.47 -11.69 42.26 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.129 -0.629 . . . . 0.0 110.232 -175.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 64.8 59.1 0.92 Allowed 'General case' 0 C--O 1.237 0.403 0 CA-C-O 122.979 1.371 . . . . 0.0 109.709 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -129.49 154.05 47.37 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 113.875 -1.511 . . . . 0.0 108.482 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.0 m -75.12 137.72 72.35 Favored Pre-proline 0 C--N 1.3 -1.55 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -46.68 -43.06 23.74 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 123.724 2.949 . . . . 0.0 113.428 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 m -57.22 -54.05 51.22 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.654 0.782 . . . . 0.0 110.943 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 55.7 t -67.85 -38.26 79.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.542 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.95 -44.83 94.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.351 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.2 m -61.98 -43.53 98.65 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 121.122 0.487 . . . . 0.0 109.706 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -64.43 -31.76 73.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.519 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 9.9 mm-40 -58.34 -55.97 28.09 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 123.466 0.479 . . . . 0.0 111.112 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.67 -37.82 76.83 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.298 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 93.9 mt -68.22 -42.13 84.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.531 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.3 t -64.59 -42.69 95.41 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 123.122 0.569 . . . . 0.0 110.652 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -73.62 -15.62 61.26 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.997 0.427 . . . . 0.0 110.79 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.79 20.76 60.79 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -88.84 -23.43 6.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 58.6 tp -135.51 154.89 51.24 Favored 'General case' 0 N--CA 1.436 -1.175 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.07 151.37 19.25 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 123.486 0.491 . . . . 0.0 110.972 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.35 -12.88 60.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.336 1.065 . . . . 0.0 110.329 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.8 -22.39 66.59 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-N 114.656 -1.157 . . . . 0.0 110.912 174.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.5 -24.1 61.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.807 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -55.44 -30.97 61.49 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.615 0.766 . . . . 0.0 112.385 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -66.9 -16.07 64.07 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.409 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.85 -31.74 16.33 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.936 0.398 . . . . 0.0 109.959 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.1 -40.79 78.75 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.324 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.82 119.92 19.66 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.5 t -81.6 -33.33 31.59 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 121.145 0.498 . . . . 0.0 109.852 -177.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -156.2 138.27 14.55 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -80.6 139.94 36.0 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 65.6 -109.54 0.17 Allowed 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.196 0.998 . . . . 0.0 110.032 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.9 mt . . . . . 0 C--O 1.251 1.168 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.8 mmm . . . . . 0 CA--C 1.504 -0.818 0 CA-C-O 121.236 0.541 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.12 137.41 30.56 Favored Pre-proline 0 C--N 1.295 -1.789 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -66.09 132.16 29.12 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 121.983 1.789 . . . . 0.0 110.557 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 31.8 Cg_endo -66.31 150.36 84.65 Favored 'Trans proline' 0 C--O 1.251 1.161 0 C-N-CA 121.952 1.768 . . . . 0.0 110.139 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 32.5 Cg_exo -58.41 114.65 2.07 Favored 'Trans proline' 0 C--O 1.249 1.069 0 C-N-CA 122.628 2.219 . . . . 0.0 111.884 -178.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -100.05 125.3 46.1 Favored 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -85.79 112.98 21.6 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.754 -173.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.8 t -95.15 112.38 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.582 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 tt -106.89 111.53 24.08 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.424 ' O ' HG13 ' A' ' 74' ' ' VAL . 10.4 t70 -72.82 108.89 6.02 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.281 -176.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.4 mt -77.19 -21.52 53.81 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -174.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -82.47 -39.57 22.33 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.938 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 17' ' ' VAL . 26.2 tpt180 -66.02 -31.98 73.19 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 173.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.0 tp -61.59 -31.25 71.3 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.752 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.466 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -70.75 -31.76 68.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.19 0.519 . . . . 0.0 110.821 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 p -86.69 6.67 30.08 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 13' ' ' ARG . 89.0 t -95.44 130.4 32.24 Favored Pre-proline 0 C--N 1.32 -0.707 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 175.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -43.72 142.61 3.27 Favored 'Trans proline' 0 C--O 1.255 1.326 0 C-N-CA 124.204 3.269 . . . . 0.0 114.458 -178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.48 -27.17 67.36 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.835 1.254 . . . . 0.0 111.286 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -54.18 -40.01 67.15 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.558 0.743 . . . . 0.0 110.125 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -102.34 -51.1 3.43 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.037 -174.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -94.73 1.89 55.5 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -172.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.33 -69.89 0.81 Allowed Glycine 0 N--CA 1.475 1.253 0 N-CA-C 115.044 0.778 . . . . 0.0 115.044 -175.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -68.81 -19.99 40.2 Favored 'Trans proline' 0 C--O 1.241 0.632 0 C-N-CA 122.616 2.21 . . . . 0.0 111.875 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.2 tp -73.55 -38.78 65.12 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.812 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 95.2 mt-30 -63.47 -35.23 79.76 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.6 0.714 . . . . 0.0 109.191 175.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -68.63 -41.45 79.43 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.256 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.451 ' O ' HG12 ' A' ' 32' ' ' ILE . 73.8 t80 -64.8 -38.85 92.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.06 88.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.387 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.09 97.37 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 110.315 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.8 m -61.3 -36.74 80.91 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.325 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 28' ' ' TYR . 47.2 mm -66.3 -45.23 90.25 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.6 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.71 -41.65 86.86 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.39 0.431 . . . . 0.0 111.52 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 m -64.91 -31.01 72.04 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.465 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -79.53 -32.52 42.29 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.253 -0.28 . . . . 0.0 110.977 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -72.55 -27.53 62.27 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 120.482 0.182 . . . . 0.0 111.033 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.99 35.85 92.65 Favored Glycine 0 C--O 1.243 0.699 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -145.26 153.29 41.15 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -96.01 0.64 51.92 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 118.982 -1.087 . . . . 0.0 113.643 -175.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -71.71 93.29 1.26 Allowed 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.788 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.83 41.01 1.78 Allowed Glycine 0 CA--C 1.472 -2.624 0 N-CA-C 110.194 -1.163 . . . . 0.0 110.194 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -90.51 -37.76 13.67 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.9 m -141.12 153.71 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.288 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.5 tp -124.09 136.1 54.0 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 p -104.15 119.92 40.0 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 123.444 0.465 . . . . 0.0 110.527 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.428 ' HB ' ' HB2' ' A' ' 50' ' ' ASP . 20.9 pt -140.63 171.35 13.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 C-N-CA 122.796 0.438 . . . . 0.0 110.095 178.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -109.93 171.47 7.43 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -62.86 -30.32 71.42 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.868 0.842 . . . . 0.0 109.558 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.0 -31.69 72.73 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.514 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 27.0 m-20 -85.06 -43.14 14.18 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' HA ' HD13 ' A' ' 54' ' ' LEU . 47.6 tp -56.12 -32.16 63.97 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.59 1.156 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 56' ' ' VAL . 79.0 ttt180 -52.6 -42.16 64.32 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.018 0.927 . . . . 0.0 111.043 177.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.508 ' O ' HG13 ' A' ' 57' ' ' ILE . 38.4 m -59.88 -42.05 92.88 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 122.946 0.498 . . . . 0.0 110.763 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 51' ' ' LEU . 6.5 mp -64.29 -43.78 93.7 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -177.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.37 82.46 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.326 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 52' ' ' ARG . 89.8 t -65.6 -35.59 75.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.754 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 53' ' ' THR . 38.8 mt -65.08 -29.84 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.714 0.768 . . . . 0.0 110.53 -178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -102.5 5.83 39.66 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.838 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.2 t70 60.74 34.17 19.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.701 1.201 . . . . 0.0 110.25 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 60' ' ' GLN . 16.7 mt-30 -113.34 164.47 13.53 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.069 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.6 t -84.79 141.87 38.77 Favored Pre-proline 0 N--CA 1.434 -1.255 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.75 -36.42 82.08 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.253 2.635 . . . . 0.0 112.884 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.0 p -63.22 -52.21 63.16 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.269 0.556 . . . . 0.0 110.627 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.99 -43.0 97.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.245 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.2 tm? -58.8 -47.93 83.05 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.191 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.419 ' O ' HG13 ' A' ' 70' ' ' ILE . 96.2 m -57.77 -49.44 76.6 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 123.197 0.599 . . . . 0.0 111.271 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.3 -34.62 75.52 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -64.09 -54.74 29.28 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.504 176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 4.4 mm? -56.77 -38.3 72.3 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.32 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 66' ' ' THR . 72.0 mt -66.69 -42.27 89.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-O 120.941 0.401 . . . . 0.0 110.097 177.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.1 m -64.89 -28.51 69.59 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.402 ' HB2' HG23 ' A' ' 74' ' ' VAL . 13.0 m0 -86.66 -5.5 59.11 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.192 0.52 . . . . 0.0 110.242 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.23 21.0 65.91 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 10' ' ' ASP . 96.8 t -91.79 -45.49 14.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 121.093 0.473 . . . . 0.0 110.279 -177.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.433 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 64.5 tp -104.35 143.96 32.27 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.916 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -62.15 139.95 58.45 Favored 'General case' 0 C--O 1.244 0.807 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.02 -19.46 65.7 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 23.4 t70 -59.46 -19.94 51.47 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.028 0.931 . . . . 0.0 111.635 -178.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.9 -27.88 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.507 1.123 . . . . 0.0 112.086 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -56.85 -32.5 65.87 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.647 0.779 . . . . 0.0 112.512 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 78' ' ' ASP . 14.1 ptp180 -83.09 -16.94 44.93 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 119.543 -0.863 . . . . 0.0 110.711 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.05 55.78 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 121.569 0.699 . . . . 0.0 109.339 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.1 t -80.91 2.14 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 CA-C-O 122.615 1.198 . . . . 0.0 109.016 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -110.95 -58.25 2.13 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-N 115.257 -0.883 . . . . 0.0 108.627 175.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.6 m -92.96 95.95 9.8 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-O 121.444 0.64 . . . . 0.0 109.626 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -92.69 -41.6 10.07 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.289 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -83.33 142.77 30.82 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.295 -174.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 89' ' ' LEU . 42.1 tt0 -169.51 165.47 10.37 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 177.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.406 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 2.5 mm? . . . . . 0 C--N 1.302 -1.487 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 CA--C 1.506 -0.748 0 CA-C-O 121.156 0.503 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.5 169.77 8.64 Favored Pre-proline 0 C--N 1.285 -2.234 0 CA-C-O 118.141 -0.933 . . . . 0.0 108.819 176.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -45.67 118.56 2.28 Favored 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 122.875 2.383 . . . . 0.0 112.016 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -48.18 125.23 11.54 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 124.037 3.158 . . . . 0.0 113.513 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.23 114.93 2.16 Favored 'Trans proline' 0 C--O 1.244 0.824 0 C-N-CA 122.699 2.266 . . . . 0.0 109.528 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -79.03 130.17 35.23 Favored 'General case' 0 N--CA 1.416 -2.145 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.75 -177.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.97 104.29 9.51 Favored 'General case' 0 N--CA 1.41 -2.441 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -88.92 112.26 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.981 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt -95.38 123.92 39.15 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -77.04 112.92 14.2 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.27 -26.34 64.72 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -68.49 -47.85 65.95 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.327 0.584 . . . . 0.0 109.972 177.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -63.31 -40.13 96.5 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.045 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 tp -61.79 -40.8 96.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.266 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.47 -16.35 61.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.103 0.477 . . . . 0.0 111.271 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.4 m -80.7 -26.71 37.33 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.377 0.608 . . . . 0.0 109.607 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.7 t -78.08 134.47 63.66 Favored Pre-proline 0 C--N 1.313 -0.979 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.59 152.33 27.69 Favored 'Trans proline' 0 C--O 1.25 1.1 0 C-N-CA 123.475 2.783 . . . . 0.0 113.304 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.37 -28.32 69.15 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.384 0.673 . . . . 0.0 111.681 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.57 -31.42 56.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.348 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 8.1 mmpt? -108.55 -54.11 2.55 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.086 0.47 . . . . 0.0 111.045 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.02 -9.54 45.54 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -172.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -57.89 -56.8 23.18 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 119.749 -0.473 . . . . 0.0 113.572 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.27 -22.53 46.21 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 121.984 1.789 . . . . 0.0 111.501 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.587 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -73.91 -46.62 43.24 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 178.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.48 ' HA ' ' HB3' ' A' ' 29' ' ' ALA . 78.4 mt-30 -63.92 -26.58 68.66 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 21.6 mtm180 -62.82 -50.83 69.41 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.485 ' CD1' HD21 ' A' ' 54' ' ' LEU . 39.8 t80 -63.25 -43.88 96.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.068 177.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' A' ' 26' ' ' GLN . . . -56.63 -47.26 80.09 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.41 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.15 85.53 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.562 0.539 . . . . 0.0 110.252 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.2 m -63.36 -44.93 93.39 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.695 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.4 mm -69.07 -40.08 80.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.956 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 28.0 mt-30 -57.64 -49.25 77.06 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.129 0.49 . . . . 0.0 110.089 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.8 t -66.81 -49.26 66.38 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.104 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -86.28 -43.46 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -172.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -110.37 -28.6 8.5 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 118.601 -1.239 . . . . 0.0 112.857 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.89 -10.81 82.5 Favored Glycine 0 CA--C 1.494 -1.266 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 t70 49.0 64.25 1.8 Allowed 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 125.874 1.669 . . . . 0.0 111.851 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 58.34 87.72 0.07 Allowed 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.678 1.591 . . . . 0.0 114.283 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -157.12 122.62 4.66 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.39 28.85 8.32 Favored Glycine 0 N--CA 1.436 -1.348 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.192 -177.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -100.16 -56.36 2.38 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.513 0.673 . . . . 0.0 110.031 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.2 m -137.31 154.96 31.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.795 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.5 tp -128.65 131.27 48.04 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -111.67 113.23 25.48 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 120.881 0.372 . . . . 0.0 110.427 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.9 pt -123.66 172.1 11.6 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -97.9 171.98 7.94 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.65 -24.07 62.63 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 173.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -62.74 -39.46 94.17 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.639 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -70.72 -39.63 73.29 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 54' ' ' LEU . 8.9 tt -66.03 -32.02 73.24 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.62 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.444 ' O ' HG23 ' A' ' 56' ' ' VAL . 46.7 ttm105 -59.86 -40.66 89.36 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.458 ' O ' HG13 ' A' ' 57' ' ' ILE . 48.3 m -70.33 -38.34 74.88 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.906 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.485 HD21 ' CD1' ' A' ' 28' ' ' TYR . 76.8 mt -55.17 -49.66 71.31 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.69 -31.22 66.15 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.657 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 52' ' ' ARG . 61.7 t -73.32 -38.61 54.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 53' ' ' THR . 34.7 mt -63.07 -47.86 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-O 121.185 0.516 . . . . 0.0 110.577 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.587 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 4.5 m-85 -88.03 -3.29 58.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.119 -175.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.2 t70 58.29 61.07 2.4 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.82 1.248 . . . . 0.0 109.6 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -134.89 165.28 25.66 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.496 -1.229 . . . . 0.0 109.692 -177.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.0 t -76.75 131.62 73.39 Favored Pre-proline 0 N--CA 1.429 -1.513 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.43 -36.53 88.08 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 123.008 2.472 . . . . 0.0 111.812 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.6 m -62.64 -50.07 72.68 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.186 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.415 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 49.1 t -69.22 -36.67 73.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.923 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.02 -50.86 71.64 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.999 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.9 m -60.12 -42.88 95.71 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.445 0.64 . . . . 0.0 109.296 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -61.28 -42.66 99.02 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.153 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 64' ' ' VAL . 26.6 mt-30 -61.77 -51.4 68.45 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 122.467 0.307 . . . . 0.0 111.203 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.16 -39.67 72.69 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 120.758 0.313 . . . . 0.0 111.74 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.88 -47.15 83.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.319 176.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.1 m -65.47 -31.89 73.2 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -73.33 -16.8 61.35 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.915 0.388 . . . . 0.0 110.649 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.9 18.95 49.35 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.113 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.99 -44.8 14.32 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.8 tp -104.99 151.41 23.95 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -78.28 147.67 34.21 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -59.56 -51.67 68.86 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -176.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.9 -21.53 30.41 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.22 -24.56 66.43 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.099 0.56 . . . . 0.0 111.61 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 8.3 ptm180 -55.1 -32.11 61.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.448 0.699 . . . . 0.0 111.975 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 66.6 mtp180 -78.37 -14.94 59.18 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 110.91 -176.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.35 -14.02 57.7 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.4 t -100.02 -47.2 11.94 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.823 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' A' ' 81' ' ' ARG . . . -145.2 121.61 10.97 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.237 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.7 t -116.63 177.55 4.66 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 67.41 85.83 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.61 1.164 . . . . 0.0 112.037 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -92.18 173.98 7.54 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.892 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -95.88 9.65 39.87 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.641 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.253 1.241 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.577 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.508 ' O ' ' HD3' ' A' ' 3' ' ' PRO . 27.1 ptm . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 111.595 0.221 . . . . 0.0 111.595 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -84.37 113.03 46.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 118.964 -0.541 . . . . 0.0 110.75 -175.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 1' ' ' MET . 22.4 Cg_exo -61.51 -51.1 4.54 Favored 'Trans proline' 0 CA--C 1.561 1.863 0 C-N-CA 120.988 1.126 . . . . 0.0 109.774 169.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 3' ' ' PRO . 1.2 Cg_endo -92.36 103.56 0.2 Allowed 'Trans proline' 0 C--N 1.396 3.038 0 C-N-CA 121.884 1.723 . . . . 0.0 107.884 167.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 3' ' ' PRO . 24.1 Cg_exo -61.79 133.63 46.0 Favored 'Trans proline' 0 CA--C 1.507 -0.864 0 C-N-CA 122.982 2.455 . . . . 0.0 113.281 -174.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -84.06 104.19 13.91 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 175.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 45' ' ' SER . 69.6 mt -80.45 109.93 15.42 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -175.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.9 114.03 41.33 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.451 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 mp -102.11 126.62 49.11 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -79.25 110.15 14.26 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 175.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -67.24 -33.73 75.95 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.598 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -69.99 -31.27 68.87 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.6 0.714 . . . . 0.0 110.271 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -75.65 -35.19 60.49 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.94 -29.53 70.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.486 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.3 0.3 14.72 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.27 0.628 . . . . 0.0 111.513 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -107.13 4.04 26.4 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 122.506 1.146 . . . . 0.0 109.096 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.9 t -106.04 126.41 30.69 Favored Pre-proline 0 N--CA 1.439 -0.985 0 N-CA-C 108.066 -1.086 . . . . 0.0 108.066 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.608 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 36.9 Cg_endo -63.22 158.44 44.37 Favored 'Trans proline' 0 C--O 1.256 1.422 0 C-N-CA 123.068 2.512 . . . . 0.0 113.757 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.23 -27.35 67.13 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.32 1.229 . . . . 0.0 114.32 -173.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.608 ' OE1' ' HB2' ' A' ' 18' ' ' PRO . 2.9 pm0 -62.44 -22.99 66.63 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -116.95 -41.93 2.99 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.751 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -103.29 -0.65 29.99 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -175.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.0 -65.38 2.72 Favored Glycine 0 N--CA 1.483 1.768 0 N-CA-C 115.062 0.785 . . . . 0.0 115.062 -174.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.412 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 24.5 Cg_exo -64.16 -28.74 64.9 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.09 1.86 . . . . 0.0 111.679 -179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.75 -42.65 73.63 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.841 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 96.8 mt-30 -64.75 -40.86 96.0 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.0 mtm105 -64.46 -44.47 90.99 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.351 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.416 ' O ' HG12 ' A' ' 32' ' ' ILE . 54.9 t80 -61.39 -43.96 97.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.39 88.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.328 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.28 -32.33 73.93 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.914 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 72.4 m -66.16 -44.13 84.98 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.011 177.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 28' ' ' TYR . 48.3 mm -61.74 -41.91 92.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.268 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -56.64 -56.24 23.85 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.9 p -68.16 -36.36 79.52 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 31' ' ' THR . 85.7 mm-40 -67.87 -42.07 81.85 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.897 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -73.49 -26.32 60.85 Favored 'General case' 0 N--CA 1.424 -1.771 0 CA-C-O 121.077 0.465 . . . . 0.0 110.372 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.88 32.0 13.83 Favored Glycine 0 CA--C 1.49 -1.469 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -119.45 153.51 35.16 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 114.919 -0.641 . . . . 0.0 109.971 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -124.86 16.76 8.64 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -73.09 100.4 3.02 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.38 30.99 9.05 Favored Glycine 0 C--N 1.294 -1.802 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -96.91 -59.02 1.89 Allowed 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.8 m -138.92 157.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.081 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.1 tp -135.47 134.03 39.14 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 23.0 t -119.88 116.33 25.61 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.205 0.526 . . . . 0.0 109.669 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 pp -113.86 170.45 4.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.206 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.91 177.17 4.97 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.987 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 88.5 mm-40 -69.41 -28.01 65.79 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.913 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -67.53 -36.61 81.35 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.164 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' O ' HD13 ' A' ' 54' ' ' LEU . 6.7 m-20 -70.35 -42.0 72.44 Favored 'General case' 0 C--O 1.209 -1.064 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 tp -53.59 -43.45 68.59 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.072 0.463 . . . . 0.0 110.365 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 48' ' ' GLN . 28.1 mmm180 -64.93 -24.21 67.46 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.393 179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 57' ' ' ILE . 32.0 m -87.4 -52.73 5.2 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 50' ' ' ASP . 10.8 mp -52.49 -46.41 66.58 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 124.232 1.013 . . . . 0.0 112.717 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.61 68.02 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.465 0.478 . . . . 0.0 111.556 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.93 -37.29 53.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.287 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 53' ' ' THR . 53.8 mt -61.94 -38.35 80.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.437 0.636 . . . . 0.0 109.826 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 24' ' ' PRO . 5.8 m-85 -92.51 4.49 53.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.649 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 66.17 24.1 10.85 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.452 1.101 . . . . 0.0 111.05 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -109.33 158.96 17.38 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.443 0.639 . . . . 0.0 111.741 -176.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.0 m -88.79 141.95 30.27 Favored Pre-proline 0 C--N 1.298 -1.636 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.471 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -44.48 -45.25 13.02 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 124.742 3.628 . . . . 0.0 116.555 -174.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.6 m -66.21 -50.74 62.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 118.079 0.4 . . . . 0.0 110.786 -176.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.4 m -69.66 -27.56 34.11 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.231 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.8 -46.1 76.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -62.63 -43.56 98.49 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.571 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.89 -42.05 97.23 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.751 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -52.67 -57.08 11.22 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.27 0.628 . . . . 0.0 111.198 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.06 -38.74 68.41 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.1 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.8 mt -73.3 -38.91 54.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.296 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.4 p -69.55 -22.9 63.51 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 21.1 m0 -85.63 -14.35 45.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.356 0.598 . . . . 0.0 109.703 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.37 19.52 68.83 Favored Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 -177.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.3 t -88.52 -34.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.142 0.496 . . . . 0.0 109.687 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.8 tp -116.29 148.12 40.85 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.947 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.03 141.29 58.82 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.337 1.023 . . . . 0.0 110.144 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.85 -27.83 67.85 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -174.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.61 -20.35 62.76 Favored 'General case' 0 C--N 1.31 -1.128 0 O-C-N 122.093 -0.38 . . . . 0.0 111.974 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.02 -38.74 62.61 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.189 0.596 . . . . 0.0 111.955 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -26.28 67.92 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 55.8 ttp85 -72.4 -53.4 12.36 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.38 -36.87 85.55 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.498 -1.228 . . . . 0.0 112.554 -174.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.7 p -76.53 -27.1 17.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.668 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.28 -36.47 54.26 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 120.928 0.394 . . . . 0.0 110.603 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.5 p -82.03 106.77 14.21 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 68.56 -173.87 0.19 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.974 0.909 . . . . 0.0 110.385 177.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.04 -53.77 1.2 Allowed 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -126.11 -48.14 1.61 Allowed 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 103.943 -2.614 . . . . 0.0 103.943 170.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.6 mt . . . . . 0 N--CA 1.415 -2.181 0 N-CA-C 103.879 -2.637 . . . . 0.0 103.879 172.464 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 CA--C 1.503 -0.851 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 68.68 144.64 0.1 OUTLIER Pre-proline 0 C--O 1.24 0.585 0 C-N-CA 124.495 1.118 . . . . 0.0 111.2 -177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.83 145.52 80.78 Favored 'Trans proline' 0 N--CA 1.446 -1.313 0 C-N-CA 121.348 1.365 . . . . 0.0 109.54 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 47.9 Cg_exo -60.46 141.23 94.96 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.581 1.521 . . . . 0.0 108.826 174.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 51.3 Cg_exo -55.17 99.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.703 2.269 . . . . 0.0 112.667 -177.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -109.59 125.43 52.54 Favored 'General case' 0 N--CA 1.419 -1.989 0 CA-C-N 114.915 -1.039 . . . . 0.0 108.312 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 62.1 mt -81.36 104.67 11.97 Favored 'General case' 0 C--N 1.286 -2.156 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.395 -171.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.24 126.89 74.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.9 mt -102.67 138.61 39.35 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.314 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -89.6 107.64 19.2 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 175.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 44' ' ' LEU . 92.1 mt -74.51 -22.26 59.14 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.967 -174.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -76.06 -39.18 56.04 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -68.59 -35.31 77.18 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 HD11 HD23 ' A' ' 25' ' ' LEU . 46.6 tp -65.4 -29.05 69.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.211 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.71 -22.42 59.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 m -81.93 -31.82 31.14 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.221 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.3 t -62.03 132.07 93.54 Favored Pre-proline 0 C--O 1.242 0.7 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -39.59 134.48 1.43 Allowed 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 124.291 3.327 . . . . 0.0 113.458 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.05 -18.25 45.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -174.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -79.01 -30.28 44.16 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.561 177.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -85.24 -48.44 9.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.183 0.516 . . . . 0.0 110.374 -178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.91 -6.12 27.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -173.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.28 -60.26 9.25 Favored Glycine 0 N--CA 1.468 0.77 0 CA-C-O 119.907 -0.385 . . . . 0.0 113.502 -177.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -57.59 -28.29 80.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 122.549 2.166 . . . . 0.0 112.48 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.427 HD23 HD11 ' A' ' 14' ' ' LEU . 46.1 tp -77.84 -34.36 51.89 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.508 -177.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -63.97 -23.34 67.3 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.977 0.418 . . . . 0.0 111.498 175.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -69.62 -53.17 20.04 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.568 ' CD2' HD21 ' A' ' 54' ' ' LEU . 69.9 t80 -57.35 -42.02 81.21 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 114.319 -1.309 . . . . 0.0 110.186 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.57 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -54.06 -51.87 62.7 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.894 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.0 76.16 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-O 121.262 0.554 . . . . 0.0 111.831 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.1 m -67.09 -47.17 72.02 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 121.492 0.663 . . . . 0.0 109.777 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.51 HG13 ' CE2' ' A' ' 28' ' ' TYR . 34.7 mm -69.81 -36.29 69.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.857 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 28.6 mt-30 -55.01 -47.96 74.0 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.5 m -60.27 -41.5 93.43 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.564 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -71.37 -29.06 64.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -99.31 7.86 45.22 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.294 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.19 27.79 71.23 Favored Glycine 0 C--O 1.242 0.643 0 CA-C-N 115.199 -0.91 . . . . 0.0 114.138 174.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.547 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 22.1 t70 -108.17 129.62 55.17 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.228 -178.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -132.07 29.17 4.4 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -91.83 -38.69 12.19 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.834 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.82 22.3 77.2 Favored Glycine 0 C--O 1.224 -0.526 0 CA-C-N 115.59 -0.732 . . . . 0.0 113.691 175.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -100.25 -64.99 0.99 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 117.231 0.515 . . . . 0.0 111.609 177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.5 m -126.56 125.35 67.04 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.969 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' HB2' HD11 ' A' ' 11' ' ' LEU . 59.0 tp -116.01 119.39 35.74 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.055 -178.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 m -82.46 125.26 30.88 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.636 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 48.3 pt -123.93 176.25 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.251 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -107.15 169.4 8.58 Favored 'General case' 0 C--N 1.29 -1.978 0 C-N-CA 123.09 0.556 . . . . 0.0 109.841 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -66.8 -31.78 72.63 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.3 -41.24 98.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.473 -1.24 . . . . 0.0 111.027 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -65.97 -42.66 89.6 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HG ' HD12 ' A' ' 65' ' ' LEU . 7.6 tt -62.62 -41.13 98.82 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.653 178.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -62.74 -38.24 89.75 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.167 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.8 m -67.85 -38.99 83.86 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.343 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.568 HD21 ' CD2' ' A' ' 28' ' ' TYR . 92.1 mt -61.12 -39.76 91.21 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.176 177.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.86 -32.52 69.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.829 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.98 -47.85 66.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.967 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.4 mt -63.04 -46.37 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.604 0.716 . . . . 0.0 110.808 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.425 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 9.6 m-85 -91.37 8.02 38.22 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.026 -172.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 52.81 65.95 1.37 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 122.267 1.032 . . . . 0.0 110.539 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.577 HE21 ' HA ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -139.01 172.8 12.31 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 179.568 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.8 p -102.87 155.48 36.52 Favored Pre-proline 0 C--N 1.282 -2.332 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -46.3 -43.49 21.39 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.267 2.645 . . . . 0.0 114.008 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.454 ' HA ' HG22 ' A' ' 66' ' ' THR . 22.1 t -71.1 -40.47 71.48 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.693 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.4 t -68.03 -37.44 78.27 Favored 'Isoleucine or valine' 0 C--O 1.244 0.765 0 CA-C-O 121.184 0.516 . . . . 0.0 109.728 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.406 HD12 ' HG ' ' A' ' 51' ' ' LEU . 3.2 tm? -63.34 -51.61 65.26 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.615 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 63' ' ' SER . 13.7 t -64.32 -35.05 79.6 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.17 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.61 -38.27 89.53 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -68.52 -48.62 63.9 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 123.182 0.301 . . . . 0.0 111.009 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.23 -39.79 79.99 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.07 -34.33 45.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.363 177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.6 t -61.55 -42.05 98.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 28.8 m0 -74.49 -16.59 60.84 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.346 0.593 . . . . 0.0 111.103 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.1 10.51 78.14 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.4 t -77.02 -35.21 22.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.4 tp -112.88 146.13 39.46 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.68 146.3 51.71 Favored 'General case' 0 C--N 1.313 -1.019 0 O-C-N 123.81 0.694 . . . . 0.0 111.467 -177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.454 ' O ' ' HD2' ' A' ' 80' ' ' ARG . . . -69.05 -27.91 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -176.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.525 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 33.7 t70 -83.91 -23.19 31.3 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.521 0.677 . . . . 0.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.64 -24.15 55.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.401 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.525 ' NH1' ' HA ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -56.99 -16.36 6.83 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.227 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -58.11 -19.47 32.61 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.24 -23.34 57.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.081 0.467 . . . . 0.0 110.963 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.9 t -107.68 -33.27 2.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.709 0.766 . . . . 0.0 109.494 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.7 -164.69 1.21 Allowed 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.4 m -98.33 140.71 32.19 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -73.85 -57.54 3.91 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -129.91 -166.95 1.74 Allowed 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.36 -67.85 0.52 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--O 1.257 1.449 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 174.252 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.7 ttm . . . . . 0 CA--C 1.511 -0.543 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -84.43 141.81 39.77 Favored Pre-proline 0 C--N 1.305 -1.366 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.77 151.52 57.55 Favored 'Trans proline' 0 CA--C 1.549 1.257 0 C-N-CA 121.778 1.652 . . . . 0.0 111.057 178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 52.4 Cg_exo -56.58 122.22 11.42 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.189 2.593 . . . . 0.0 112.143 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 33.4 Cg_exo -59.45 107.72 0.4 Allowed 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.893 2.395 . . . . 0.0 111.795 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -81.52 132.35 35.31 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.119 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.417 ' HB2' HG13 ' A' ' 46' ' ' ILE . 61.4 mt -105.8 136.82 44.74 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.8 t -111.18 113.02 43.07 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 CA-C-O 121.143 0.497 . . . . 0.0 110.141 -176.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.1 tp -94.14 124.99 38.5 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -88.84 109.96 20.64 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.5 mt -73.28 -34.88 66.03 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.666 -174.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -68.71 -44.05 74.72 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.962 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -68.63 -31.76 71.14 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.353 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.79 -35.19 77.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.266 0.555 . . . . 0.0 109.528 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.447 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -74.3 -17.3 60.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.214 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -85.08 -21.03 29.5 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.303 0.573 . . . . 0.0 109.713 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -86.86 124.75 68.54 Favored Pre-proline 0 N--CA 1.442 -0.871 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -53.69 151.49 25.07 Favored 'Trans proline' 0 C--O 1.259 1.531 0 C-N-CA 123.158 2.572 . . . . 0.0 113.554 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -21.51 47.31 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -170.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 2.5 mp0 -56.84 -47.64 79.88 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.732 0.696 . . . . 0.0 110.385 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -100.88 -30.99 11.37 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.754 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.92 -17.02 19.48 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.93 -64.03 4.08 Favored Glycine 0 N--CA 1.474 1.168 0 N-CA-C 114.803 0.681 . . . . 0.0 114.803 -175.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.47 -26.04 76.38 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.696 2.264 . . . . 0.0 112.523 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 3.5 tt -77.42 -40.66 42.68 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 15' ' ' ALA . 17.1 mm-40 -56.46 -44.07 80.16 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.659 0.784 . . . . 0.0 110.674 175.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -46.07 85.91 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 123.768 0.668 . . . . 0.0 111.44 177.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -65.85 -47.56 74.54 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.82 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.21 89.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.104 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.58 91.53 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.085 0.469 . . . . 0.0 110.467 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.419 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 98.2 m -64.53 -42.85 95.48 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.811 177.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mm -61.83 -44.96 99.59 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.34 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -55.63 -44.2 76.87 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.422 0.629 . . . . 0.0 111.242 176.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m -68.08 -27.48 66.53 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.388 -177.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 31' ' ' THR . 23.6 mt-30 -88.19 -19.72 26.53 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.478 0.656 . . . . 0.0 110.105 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -78.81 -26.09 44.27 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.21 -58.16 3.54 Favored Glycine 0 N--CA 1.44 -1.074 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.035 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -112.27 134.31 53.89 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -67.33 128.51 36.68 Favored 'General case' 0 C--N 1.311 -1.085 0 O-C-N 124.071 0.857 . . . . 0.0 109.385 -176.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -63.67 -35.26 79.95 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 123.607 0.567 . . . . 0.0 112.18 -174.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.36 -105.1 0.64 Allowed Glycine 0 N--CA 1.435 -1.38 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.566 173.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -94.88 -36.07 11.78 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-O 121.662 0.744 . . . . 0.0 110.243 -176.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.95 171.92 16.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.614 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -141.11 129.73 22.75 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 p -86.73 115.4 24.15 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.11 0.481 . . . . 0.0 110.936 178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 7' ' ' LEU . 29.3 pt -119.31 159.39 20.14 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.421 ' HB2' ' HB2' ' A' ' 50' ' ' ASP . 41.0 mtm180 -82.15 159.0 23.43 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 119.805 -0.758 . . . . 0.0 112.128 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.658 ' NE2' ' H ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -51.18 -50.09 59.66 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 125.89 1.676 . . . . 0.0 112.362 177.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -82.13 -18.28 43.44 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 121.003 0.43 . . . . 0.0 111.565 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 47' ' ' ARG . 32.8 t70 -70.79 -33.05 70.35 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.264 0.554 . . . . 0.0 110.072 -175.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' A' ' 54' ' ' LEU . 3.5 tm? -63.15 -29.28 70.67 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.775 177.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -68.44 -23.64 64.63 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.092 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.2 m -70.46 -33.41 71.26 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.036 0.446 . . . . 0.0 110.337 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 51' ' ' LEU . 7.4 mp -65.4 -37.26 86.44 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.743 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.95 -39.75 78.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.367 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.95 -40.67 89.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.067 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 54.7 mt -63.32 -39.51 85.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.963 -177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.48 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 3.0 m-85 -94.89 7.82 44.75 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.057 -175.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 61.5 30.86 18.97 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 123.876 0.87 . . . . 0.0 112.546 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -104.56 169.35 8.51 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.653 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.0 t -99.57 137.21 20.22 Favored Pre-proline 0 N--CA 1.415 -2.205 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 174.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.81 -32.83 38.59 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.554 2.836 . . . . 0.0 113.18 -176.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 m -55.82 -56.3 22.21 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.945 0.898 . . . . 0.0 110.516 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -78.96 -25.81 13.19 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.313 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.48 -47.36 76.33 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.4 m -63.39 -38.1 89.84 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.32 -45.74 92.33 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.46 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.59 -53.84 52.65 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 123.75 0.82 . . . . 0.0 111.42 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 75' ' ' LEU . 4.2 mm? -53.93 -42.67 69.05 Favored 'General case' 0 C--O 1.249 1.075 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.0 mt -68.15 -36.08 73.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-O 121.035 0.445 . . . . 0.0 110.764 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.3 m -69.9 -28.17 65.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.142 0.496 . . . . 0.0 111.379 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -84.21 -16.54 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.593 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.58 13.97 79.07 Favored Glycine 0 C--O 1.243 0.659 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.9 t -86.27 -28.28 6.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.511 0.672 . . . . 0.0 109.228 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 69' ' ' LEU . 51.9 tp -118.74 135.78 54.31 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.88 132.56 51.17 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 123.962 0.789 . . . . 0.0 109.91 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.39 -37.01 46.01 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -172.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -55.41 -19.26 8.65 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.06 0.944 . . . . 0.0 112.524 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.99 53.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.792 0.437 . . . . 0.0 111.583 175.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -29.61 69.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.04 0.447 . . . . 0.0 110.179 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -76.03 -40.46 53.42 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.63 -46.38 82.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.654 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.4 t -72.61 -24.71 21.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.831 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 57.37 64.86 1.48 Allowed 'General case' 0 C--O 1.245 0.83 0 C-N-CA 124.388 1.075 . . . . 0.0 110.661 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.2 m -157.6 132.9 8.92 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.715 -1.129 . . . . 0.0 108.865 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -163.23 144.82 9.71 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -93.69 -16.75 23.94 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 171.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 94.05 -45.81 0.01 OUTLIER 'General case' 0 C--O 1.243 0.732 0 C-N-CA 128.326 2.65 . . . . 0.0 111.199 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.0 tp . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.948 -0.549 . . . . 0.0 109.573 176.913 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.0 tpp . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -95.95 142.24 24.29 Favored Pre-proline 0 C--N 1.31 -1.112 0 O-C-N 122.345 -0.222 . . . . 0.0 110.587 -176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -69.04 169.98 16.75 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.211 2.607 . . . . 0.0 112.076 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 38.5 Cg_exo -43.03 129.59 5.71 Favored 'Trans proline' 0 C--N 1.367 1.534 0 C-N-CA 123.552 2.834 . . . . 0.0 112.347 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 50.5 Cg_exo -56.55 116.74 3.41 Favored 'Trans proline' 0 C--O 1.253 1.256 0 C-N-CA 122.942 2.428 . . . . 0.0 112.459 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -88.67 103.88 16.35 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 45' ' ' SER . 71.3 mt -83.25 97.5 8.9 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.905 -176.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m -93.89 112.57 27.0 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-O 121.488 0.661 . . . . 0.0 111.577 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 9' ' ' LEU . 3.9 pp -101.48 131.11 47.78 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -77.59 118.49 20.04 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.066 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -78.46 -16.42 57.58 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -175.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -84.43 -42.13 15.96 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 4.5 mmt180 -68.14 -33.52 74.63 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.919 174.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.42 -29.17 70.23 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.183 0.516 . . . . 0.0 109.847 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.58 -23.09 60.91 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.518 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.5 p -87.21 -10.34 52.82 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.884 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.6 t -81.77 129.16 66.23 Favored Pre-proline 0 C--O 1.241 0.634 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.5 142.93 80.06 Favored 'Trans proline' 0 C--O 1.252 1.222 0 C-N-CA 123.015 2.477 . . . . 0.0 113.111 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.88 -18.85 58.59 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.22 1.008 . . . . 0.0 111.659 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -54.26 -32.84 57.16 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.101 0.56 . . . . 0.0 110.997 174.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -118.69 -38.1 3.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.162 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.06 -2.03 58.37 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.18 -64.94 3.93 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 121.702 -0.285 . . . . 0.0 113.298 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -65.98 -20.99 57.35 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.237 1.958 . . . . 0.0 111.933 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.98 -42.75 59.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.272 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.88 -34.55 76.22 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.543 175.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -64.89 -49.81 69.01 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.05 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.483 ' O ' HG12 ' A' ' 32' ' ' ILE . 46.1 t80 -59.27 -47.26 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.761 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.74 -47.33 85.01 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.05 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.08 77.56 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.506 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.1 m -65.28 -43.38 91.37 Favored 'General case' 0 C--O 1.213 -0.836 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 28' ' ' TYR . 49.2 mm -62.24 -44.88 99.63 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -58.93 -47.86 83.54 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.28 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 p -69.57 -36.9 76.72 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -60.78 -50.65 72.61 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.413 0.149 . . . . 0.0 111.039 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.41 -26.79 61.99 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.294 0.568 . . . . 0.0 109.853 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.71 41.21 51.01 Favored Glycine 0 N--CA 1.438 -1.213 0 N-CA-C 107.599 -2.201 . . . . 0.0 107.599 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -104.08 133.23 49.38 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.428 -0.886 . . . . 0.0 108.836 -173.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -100.29 12.04 38.01 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.631 0.729 . . . . 0.0 111.291 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -73.3 105.07 4.54 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.795 0.807 . . . . 0.0 110.576 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.85 23.73 25.14 Favored Glycine 0 C--N 1.302 -1.331 0 CA-C-N 114.385 -1.279 . . . . 0.0 112.072 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -98.15 -65.03 0.99 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.479 0.657 . . . . 0.0 109.931 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.84 127.69 18.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.9 tp -102.58 120.08 39.94 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 22.0 t -93.75 114.54 26.84 Favored 'General case' 0 N--CA 1.429 -1.521 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.473 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -113.19 173.22 2.95 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 109.632 -0.506 . . . . 0.0 109.632 177.622 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -85.66 163.2 18.42 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.634 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.488 ' CD ' ' H ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -65.45 -24.17 67.11 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 121.642 0.734 . . . . 0.0 109.056 171.167 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.418 ' HA ' ' HG3' ' A' ' 52' ' ' ARG . 5.3 m-20 -65.98 -34.97 79.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.143 174.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -75.9 -41.69 51.23 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.433 HD21 ' OG1' ' A' ' 66' ' ' THR . 31.8 tp -52.86 -48.95 66.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.103 176.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -68.07 -30.18 69.32 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 179.677 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.628 ' O ' HG13 ' A' ' 57' ' ' ILE . 89.5 m -71.87 -40.63 68.81 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 28' ' ' TYR . 95.4 mt -54.34 -48.09 71.8 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.111 0.564 . . . . 0.0 110.161 175.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.71 74.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.231 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 52' ' ' ARG . 95.5 t -69.47 -36.7 72.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.033 0.444 . . . . 0.0 110.533 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.628 HG13 ' O ' ' A' ' 53' ' ' THR . 53.3 mt -67.32 -34.03 66.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.598 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -101.9 4.03 39.73 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.91 -175.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 61.88 34.75 16.79 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.92 0.888 . . . . 0.0 111.945 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -109.92 164.89 12.16 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.794 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.1 t -78.53 135.0 61.06 Favored Pre-proline 0 C--N 1.299 -1.599 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.1 -38.56 80.85 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.95 2.433 . . . . 0.0 112.083 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -64.01 -42.44 97.15 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.61 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.2 t -75.54 -39.47 40.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.423 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.5 tm? -56.68 -42.18 78.62 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 123.365 0.666 . . . . 0.0 109.215 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.433 ' OG1' HD21 ' A' ' 51' ' ' LEU . 59.8 m -58.12 -49.8 75.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.859 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.69 -40.22 95.0 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.411 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.496 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -56.97 -48.3 78.71 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.723 0.409 . . . . 0.0 111.222 178.516 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.446 ' HB3' ' HB2' ' A' ' 75' ' ' LEU . 4.2 mm? -59.87 -35.43 74.8 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.238 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 90.5 mt -72.79 -38.19 56.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.341 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.4 m -63.36 -36.64 84.39 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.907 0.483 . . . . 0.0 111.466 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -76.91 -13.18 60.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.51 0.671 . . . . 0.0 109.978 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.87 30.0 49.4 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 9' ' ' LEU . 58.0 t -98.63 -48.53 12.01 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.446 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 61.5 tp -95.73 143.55 26.88 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.68 139.54 57.85 Favored 'General case' 0 C--N 1.317 -0.804 0 O-C-N 123.426 0.454 . . . . 0.0 109.932 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -54.93 -42.12 71.88 Favored 'General case' 0 C--O 1.209 -1.069 0 C-N-CA 124.026 0.93 . . . . 0.0 113.272 -172.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.46 -25.77 1.17 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.08 -30.91 68.43 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.427 0.291 . . . . 0.0 111.563 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 6.7 ptm180 -63.36 -34.84 78.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.097 0.475 . . . . 0.0 109.901 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.474 ' NH2' ' HB2' ' A' ' 88' ' ' GLU . 24.5 tpt180 -85.65 -30.55 23.14 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.237 -178.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.81 -50.06 73.8 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.561 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -109.84 79.64 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.375 0 CA-C-O 123.026 1.393 . . . . 0.0 109.56 174.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.06 168.61 8.94 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.215 -175.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.9 m -84.09 -41.04 17.56 Favored 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -112.62 110.64 20.92 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -78.71 144.7 35.04 Favored 'General case' 0 CA--C 1.489 -1.372 0 O-C-N 123.453 0.47 . . . . 0.0 110.788 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.474 ' HB2' ' NH2' ' A' ' 81' ' ' ARG . 8.6 tp10 -104.98 -15.83 15.0 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.431 -0.804 . . . . 0.0 108.996 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.9 tp . . . . . 0 N--CA 1.432 -1.347 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.723 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.7 mmm . . . . . 0 CA--C 1.507 -0.704 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.48 118.31 58.58 Favored Pre-proline 0 C--N 1.318 -0.797 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -63.14 126.48 17.98 Favored 'Trans proline' 0 C--O 1.241 0.659 0 C-N-CA 122.465 2.11 . . . . 0.0 110.897 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -81.85 169.32 15.0 Favored 'Trans proline' 0 CA--C 1.552 1.379 0 C-N-CA 123.123 2.549 . . . . 0.0 112.894 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.89 132.66 48.08 Favored 'Trans proline' 0 C--N 1.363 1.341 0 C-N-CA 123.626 2.884 . . . . 0.0 111.737 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 6.6 mptt -96.51 132.77 41.74 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -175.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.75 96.81 10.63 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.402 ' HB ' ' HB2' ' A' ' 76' ' ' ASP . 47.0 t -104.18 124.34 58.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.5 tp -97.12 117.18 30.74 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.67 113.23 19.53 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.9 mt -80.08 -18.13 50.81 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.61 -46.92 11.05 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 120.962 0.411 . . . . 0.0 110.017 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.93 -28.36 68.23 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.17 0.51 . . . . 0.0 109.779 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.08 -33.9 74.07 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.833 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.81 -24.96 52.8 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-O 120.957 0.408 . . . . 0.0 111.411 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 p -77.85 -15.63 58.91 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.964 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -81.18 129.85 65.19 Favored Pre-proline 0 N--CA 1.44 -0.95 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -43.96 138.7 6.2 Favored 'Trans proline' 0 C--O 1.254 1.278 0 C-N-CA 124.116 3.211 . . . . 0.0 113.705 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.59 -24.48 60.98 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 123.92 0.888 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.98 -28.35 62.27 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -112.47 -46.1 3.19 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 120.912 0.387 . . . . 0.0 110.649 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -88.08 -12.8 43.17 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -173.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -44.88 -71.37 0.48 Allowed Glycine 0 N--CA 1.481 1.659 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 -174.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -68.31 -22.89 39.22 Favored 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 122.214 1.943 . . . . 0.0 112.855 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HB2' ' OH ' ' A' ' 58' ' ' TYR . 4.7 tt -66.71 -42.42 86.38 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 55.1 mt-30 -63.98 -30.07 71.17 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.751 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -68.22 -46.25 71.05 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.904 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.483 ' O ' HG12 ' A' ' 32' ' ' ILE . 63.6 t80 -53.86 -49.17 69.08 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.235 174.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.14 90.65 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.08 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.37 87.79 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 122.989 0.515 . . . . 0.0 111.091 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.515 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 64.1 m -64.79 -41.52 95.76 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.389 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 28' ' ' TYR . 50.7 mm -62.68 -41.33 91.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-O 121.241 0.543 . . . . 0.0 109.67 177.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.507 HE22 ' CB ' ' A' ' 39' ' ' TYR . 27.8 mm-40 -59.87 -40.87 90.13 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.403 176.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.3 m -70.54 -28.15 64.7 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.529 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 31' ' ' THR . 81.2 mm-40 -75.05 -40.65 60.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.594 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -90.31 -5.37 56.34 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.93 -57.3 4.63 Favored Glycine 0 C--O 1.239 0.461 0 C-N-CA 121.242 -0.504 . . . . 0.0 111.946 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -144.84 163.12 35.05 Favored 'General case' 0 N--CA 1.418 -2.04 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 176.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 44' ' ' LEU . 13.4 t80 -153.89 -170.39 3.56 Favored 'General case' 0 N--CA 1.416 -2.168 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -58.81 -45.99 88.65 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 123.514 0.725 . . . . 0.0 109.983 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.7 -40.66 2.46 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.856 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -81.5 -41.42 21.74 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.404 0.621 . . . . 0.0 109.658 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.8 m -128.48 160.79 38.33 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.872 177.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 61.5 tp -135.46 118.73 16.66 Favored 'General case' 0 C--N 1.311 -1.081 0 C-N-CA 123.817 0.847 . . . . 0.0 109.302 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -80.43 122.62 27.19 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 50' ' ' ASP . 42.4 pt -118.82 170.38 8.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -178.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -105.29 175.52 5.47 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -66.14 -28.32 68.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.927 0.394 . . . . 0.0 111.772 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -75.5 -31.09 60.05 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.379 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 5.4 m-20 -60.73 -46.14 91.58 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 175.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.1 tp -56.41 -46.74 80.03 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.404 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.494 ' O ' HG23 ' A' ' 56' ' ' VAL . 64.2 mtt180 -64.36 -39.7 94.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.214 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.415 ' O ' HG13 ' A' ' 57' ' ' ILE . 28.1 m -60.95 -36.81 80.36 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.0 0.429 . . . . 0.0 110.639 -178.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.472 HD22 ' HG ' ' A' ' 25' ' ' LEU . 90.3 mt -62.96 -34.51 77.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.347 0.594 . . . . 0.0 110.869 178.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.58 -32.84 66.31 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.122 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 52' ' ' ARG . 61.5 t -67.82 -33.53 62.15 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.727 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 53' ' ' THR . 37.1 mt -56.17 -46.58 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.555 0.693 . . . . 0.0 109.712 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.62 ' OH ' ' HB2' ' A' ' 25' ' ' LEU . 9.2 m-85 -93.25 -4.27 52.18 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.968 -174.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 60.7 58.56 2.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.984 1.373 . . . . 0.0 109.962 -177.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -131.92 171.99 12.89 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.126 -1.397 . . . . 0.0 109.455 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.6 t -77.22 139.33 64.61 Favored Pre-proline 0 N--CA 1.425 -1.711 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.805 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -58.4 -29.97 89.91 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.539 2.16 . . . . 0.0 110.74 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 m -57.03 -53.82 53.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.838 0.855 . . . . 0.0 110.577 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -73.27 -30.6 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.732 -176.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 2.9 tm? -66.53 -44.08 83.42 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.8 m -63.64 -50.86 67.66 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.709 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.93 -32.27 73.74 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.655 -177.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -66.56 -49.23 67.09 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.399 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.449 HD23 ' CZ3' ' A' ' 72' ' ' TRP . 78.2 mt -57.9 -39.71 78.57 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 120.552 0.215 . . . . 0.0 111.47 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.89 -43.0 96.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.087 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.8 m -66.7 -32.45 73.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.449 ' CZ3' HD23 ' A' ' 69' ' ' LEU . 35.5 m0 -77.53 -17.41 57.96 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.031 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.84 20.75 57.38 Favored Glycine 0 C--N 1.321 -0.281 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.7 t -93.38 -40.4 11.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.021 0.438 . . . . 0.0 110.494 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.4 tp -94.93 141.57 28.5 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.402 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 24.7 t70 -54.27 137.36 41.51 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 124.022 0.826 . . . . 0.0 111.058 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.412 ' O ' ' HD2' ' A' ' 80' ' ' ARG . . . -60.47 -33.0 71.94 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.559 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 21.6 t70 -80.82 -20.14 43.1 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 121.744 -0.597 . . . . 0.0 111.086 -175.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.68 -24.88 15.85 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.559 ' NH1' ' HA ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -62.24 -23.02 66.43 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.071 0.462 . . . . 0.0 111.176 -178.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -70.83 -13.69 62.13 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.04 -30.6 21.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.044 0.45 . . . . 0.0 111.001 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -97.14 -25.36 4.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.91 0.386 . . . . 0.0 111.896 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.37 -168.36 1.85 Allowed 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 87.9 p 59.69 178.45 0.08 Allowed 'General case' 0 C--O 1.257 1.469 0 C-N-CA 124.795 1.238 . . . . 0.0 113.071 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.421 ' O ' ' HB3' ' A' ' 87' ' ' ASP . 57.3 t-80 72.94 131.63 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.028 1.331 . . . . 0.0 108.924 -175.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 86' ' ' HIS . 26.3 t70 79.13 123.04 0.05 OUTLIER 'General case' 0 C--O 1.243 0.749 0 C-N-CA 124.494 1.117 . . . . 0.0 109.125 -172.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 73.76 95.91 0.07 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.417 1.487 . . . . 0.0 108.441 -172.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.2 tp . . . . . 0 C--N 1.306 -1.309 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.874 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 tpt . . . . . 0 C--O 1.237 0.434 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 60.54 79.0 0.3 Allowed Pre-proline 0 N--CA 1.476 0.839 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -175.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -57.52 -49.29 13.97 Favored 'Trans proline' 0 CA--C 1.566 2.079 0 C-N-CA 122.856 2.371 . . . . 0.0 114.73 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 14.2 Cg_exo -71.72 127.16 12.75 Favored 'Trans proline' 0 C--N 1.374 1.918 0 CA-C-N 121.026 1.402 . . . . 0.0 111.678 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 51.3 Cg_exo -57.33 116.91 3.56 Favored 'Trans proline' 0 C--O 1.246 0.908 0 C-N-CA 123.192 2.595 . . . . 0.0 112.952 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -86.28 121.78 29.34 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 67.9 mt -117.35 131.84 56.71 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.427 0.632 . . . . 0.0 112.044 -170.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.6 t -110.81 116.52 52.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 74' ' ' VAL . 38.4 tp -102.2 128.75 48.57 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -177.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -83.43 108.29 16.49 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.6 mt -80.89 -23.21 39.15 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -176.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -79.44 -33.3 42.62 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -176.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -71.41 -36.89 71.51 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 174.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.448 HD21 HD22 ' A' ' 25' ' ' LEU . 35.1 tp -63.97 -36.81 85.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.317 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.24 -30.85 69.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.429 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 p -89.99 -5.31 56.8 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.6 t -82.55 128.31 67.17 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -38.68 138.67 0.49 Allowed 'Trans proline' 0 C--O 1.261 1.647 0 C-N-CA 124.588 3.525 . . . . 0.0 114.742 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.43 -23.97 63.12 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 124.551 1.14 . . . . 0.0 112.352 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -57.12 -34.53 68.47 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.204 0.526 . . . . 0.0 111.056 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -110.54 -53.84 2.65 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.841 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -90.39 -11.49 40.35 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -172.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.45 -65.21 3.44 Favored Glycine 0 CA--C 1.535 1.297 0 N-CA-C 114.195 0.438 . . . . 0.0 114.195 -175.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -62.7 -24.39 74.77 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 122.443 2.095 . . . . 0.0 112.365 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD22 HD21 ' A' ' 14' ' ' LEU . 4.9 tt -75.21 -41.41 57.79 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -178.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 80.1 mt-30 -59.18 -39.76 83.56 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 121.097 0.475 . . . . 0.0 110.189 176.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -65.02 -43.68 91.66 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.433 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' O ' HG12 ' A' ' 32' ' ' ILE . 52.5 t80 -56.8 -51.16 70.03 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 174.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.491 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -55.93 -48.19 76.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.428 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.05 -33.08 70.36 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.231 0.613 . . . . 0.0 111.62 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 34.9 m -73.13 -30.24 63.46 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.433 0.635 . . . . 0.0 109.767 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 49.8 mm -83.96 -31.52 8.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.681 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 27.6 mt-30 -49.46 -44.19 45.6 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.996 0.518 . . . . 0.0 111.769 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.4 p -64.14 -36.02 82.68 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -176.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 3.5 pt20 -78.59 -23.0 46.23 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.012 178.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -86.49 2.77 46.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.505 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.03 17.33 13.06 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.997 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 t70 75.88 -52.46 0.63 Allowed 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 125.651 1.58 . . . . 0.0 112.442 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.09 -5.89 59.31 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.011 -1.449 . . . . 0.0 113.349 -175.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -86.4 64.72 8.69 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 171.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.88 -2.08 3.19 Favored Glycine 0 N--CA 1.431 -1.7 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.382 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -80.3 -53.48 6.6 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 172.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.8 m -123.93 131.1 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.63 0 CA-C-N 113.17 -1.832 . . . . 0.0 106.234 171.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.451 ' HG ' HG23 ' A' ' 46' ' ' ILE . 42.1 tp -97.64 118.19 33.62 Favored 'General case' 0 C--N 1.281 -2.4 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -176.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -91.29 102.51 15.22 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.451 HG23 ' HG ' ' A' ' 44' ' ' LEU . 2.4 pp -131.88 -179.93 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -175.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -103.48 163.7 12.12 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.111 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.609 ' NE2' ' H ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -64.85 -26.4 68.31 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.087 -0.96 . . . . 0.0 108.746 175.627 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.93 -38.87 87.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.612 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.52 -29.3 56.69 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.991 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.02 -37.61 88.06 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 48' ' ' GLN . 12.0 mmm180 -60.37 -44.05 96.0 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.031 177.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.539 ' O ' HG13 ' A' ' 57' ' ' ILE . 15.8 m -58.84 -47.3 85.34 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.068 178.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.9 mt -54.6 -49.04 71.37 Favored 'General case' 0 CA--C 1.516 -0.364 0 O-C-N 123.901 0.751 . . . . 0.0 111.287 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.11 -37.17 69.04 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.757 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.0 t -70.61 -38.05 71.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.668 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 53' ' ' THR . 34.3 mt -62.74 -38.46 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.96 -176.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -98.23 1.27 47.11 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.293 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 53.13 64.12 1.98 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.861 1.264 . . . . 0.0 109.464 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -140.97 147.12 38.25 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.629 -176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 t -63.81 140.15 97.77 Favored Pre-proline 0 C--N 1.307 -1.277 0 O-C-N 123.641 0.588 . . . . 0.0 109.978 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.51 -34.24 71.47 Favored 'Trans proline' 0 C--N 1.362 1.247 0 C-N-CA 123.15 2.567 . . . . 0.0 111.744 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.5 m -60.84 -53.35 58.41 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.244 0.618 . . . . 0.0 110.037 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.441 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 36.5 t -66.65 -39.43 83.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.727 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.44 -50.27 73.56 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.689 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.1 m -60.0 -46.51 89.23 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.511 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.17 -35.58 81.24 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 27.7 mm-40 -59.43 -53.99 51.76 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.9 0.381 . . . . 0.0 110.086 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mp -54.21 -43.47 70.83 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.226 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.3 mt -67.82 -38.53 80.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.6 m -72.6 -22.95 60.89 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.895 0.378 . . . . 0.0 111.151 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -86.49 -15.72 39.23 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 120.916 0.389 . . . . 0.0 110.026 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.69 22.48 55.76 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.425 ' O ' HD12 ' A' ' 9' ' ' LEU . 24.1 m -101.09 -8.06 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.452 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.2 tp -142.21 152.09 42.77 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -89.17 156.62 18.68 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.65 -16.69 64.39 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.174 0.989 . . . . 0.0 113.177 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -71.9 -27.75 63.04 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.424 0.63 . . . . 0.0 110.431 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.7 -24.24 65.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.794 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -58.1 -23.68 55.74 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.63 0.772 . . . . 0.0 111.478 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -74.48 -13.84 60.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.869 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.59 75.61 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 176.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.4 t -103.81 73.61 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.67 -175.33 2.94 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-N 114.682 -1.144 . . . . 0.0 108.715 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 m -70.95 133.19 46.19 Favored 'General case' 0 N--CA 1.433 -1.318 0 O-C-N 123.553 0.533 . . . . 0.0 109.764 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -134.59 -177.01 4.41 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.53 -3.29 49.58 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 121.282 0.563 . . . . 0.0 110.084 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -112.11 2.09 16.6 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 124.188 0.995 . . . . 0.0 109.432 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 N--CA 1.441 -0.878 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -177.317 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' HG2' ' A' ' 47' ' ' ARG . 92.2 mmm . . . . . 0 CA--C 1.501 -0.928 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -65.19 -53.17 42.38 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.046 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -65.69 124.82 13.31 Favored 'Trans proline' 0 C--N 1.379 2.164 0 N-CA-C 109.153 -1.134 . . . . 0.0 109.153 171.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -51.24 -46.77 29.31 Favored 'Trans proline' 0 CA--C 1.561 1.847 0 C-N-CA 123.012 2.475 . . . . 0.0 115.059 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -72.83 106.18 2.08 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 121.185 1.257 . . . . 0.0 113.907 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.32 150.27 40.99 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 113.932 -1.485 . . . . 0.0 108.897 174.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' ' 45' ' ' SER . 2.7 mm? -82.01 97.56 8.17 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-O 121.187 0.517 . . . . 0.0 111.117 -173.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -89.81 117.22 32.69 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.85 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -112.99 126.86 55.95 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -82.53 115.31 21.46 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.5 mt -78.12 -26.39 47.92 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -173.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -73.9 -44.69 54.45 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -70.35 -29.17 65.79 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.99 -29.27 70.18 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.072 177.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.89 -6.68 59.34 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.115 0.484 . . . . 0.0 110.455 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.3 m -94.32 -20.48 19.73 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.243 0.544 . . . . 0.0 109.823 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -93.88 134.02 26.84 Favored Pre-proline 0 N--CA 1.434 -1.267 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -20.98 115.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.372 1.774 1 C-N-CA 126.586 4.857 . . . . 0.0 116.728 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.58 -23.25 66.92 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.815 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 1.6 pm0 -75.32 -12.55 60.29 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.525 -0.734 . . . . 0.0 112.105 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -109.43 -47.94 3.32 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.902 0.382 . . . . 0.0 110.545 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -90.9 -11.56 38.79 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -174.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -44.57 -57.66 5.05 Favored Glycine 0 N--CA 1.484 1.857 0 N-CA-C 114.986 0.754 . . . . 0.0 114.986 -176.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -48.49 -44.14 30.97 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.968 2.446 . . . . 0.0 112.467 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.8 tp -72.48 -39.19 67.89 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.969 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 96.4 mt-30 -55.57 -42.11 74.25 Favored 'General case' 0 C--O 1.244 0.816 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' GLY . 27.2 mtm180 -68.52 -51.14 46.36 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.028 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CE2' HD11 ' A' ' 54' ' ' LEU . 82.3 t80 -53.66 -44.94 70.06 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.86 0.864 . . . . 0.0 110.872 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.28 -48.29 79.28 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 123.167 0.587 . . . . 0.0 111.593 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.76 -36.36 82.25 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.499 0.666 . . . . 0.0 109.992 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.0 m -63.5 -47.05 83.3 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.831 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 39.6 mm -64.64 -39.93 87.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.224 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.47 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 45.6 mt-30 -64.18 -38.43 91.04 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.487 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.0 m -65.48 -44.36 87.34 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.428 176.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.07 -36.02 82.63 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -78.25 -17.14 57.08 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.18 31.81 45.98 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.26 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 33' ' ' GLN . 17.8 t70 -143.67 101.46 3.77 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 123.013 0.525 . . . . 0.0 109.619 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -97.11 83.54 3.36 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.14 -45.66 66.33 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.169 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.55 -26.37 2.3 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 114.985 0.754 . . . . 0.0 114.985 176.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -87.47 -60.01 2.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 117.453 0.627 . . . . 0.0 110.095 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 m -133.22 168.0 25.24 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.964 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.5 tp -135.77 150.82 49.6 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 41.2 m -140.49 110.47 6.51 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.489 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -113.95 175.12 2.42 Favored 'Isoleucine or valine' 0 C--O 1.25 1.098 0 CA-C-O 121.122 0.487 . . . . 0.0 110.912 -179.286 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.461 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 65.9 mtm180 -85.65 163.98 17.96 Favored 'General case' 0 N--CA 1.429 -1.478 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.21 -176.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 67.2 mt-30 -64.04 -34.43 78.0 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.91 0.862 . . . . 0.0 109.134 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -64.04 -34.81 78.86 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.046 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -74.54 -36.96 63.15 Favored 'General case' 0 CA--C 1.493 -1.244 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.43 -30.46 71.24 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.419 0.628 . . . . 0.0 109.829 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 82.0 mtt180 -65.63 -33.4 75.82 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.043 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.476 ' O ' HG13 ' A' ' 57' ' ' ILE . 18.6 m -65.87 -39.62 90.85 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.372 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 28' ' ' TYR . 10.2 mp -60.51 -39.24 87.06 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.12 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.95 -28.63 70.21 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.579 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.1 t -79.26 -35.66 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 53' ' ' THR . 47.0 mt -62.42 -48.97 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-O 121.486 0.66 . . . . 0.0 109.972 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -91.23 -2.17 57.53 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.392 -174.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.5 t70 50.34 67.44 0.92 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.362 1.465 . . . . 0.0 111.661 -176.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -139.63 173.5 11.47 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.068 -1.424 . . . . 0.0 108.35 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.7 p -90.01 144.95 32.14 Favored Pre-proline 0 C--N 1.299 -1.63 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.55 -31.35 58.78 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.815 2.343 . . . . 0.0 112.128 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.7 t -61.81 -56.77 15.99 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.4 p -72.24 -26.02 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 121.495 0.664 . . . . 0.0 110.404 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.5 tm? -63.15 -49.96 72.28 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 33.0 m -64.45 -34.74 78.9 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.628 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.5 -48.3 77.48 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.751 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -62.44 -51.76 66.23 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.201 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 65' ' ' LEU . 4.4 mm? -55.71 -43.6 76.67 Favored 'General case' 0 C--O 1.249 1.026 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 77' ' ' ALA . 87.2 mt -73.22 -37.49 52.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.77 178.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -66.05 -24.42 66.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 36.3 m0 -82.92 -15.71 50.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.048 0.452 . . . . 0.0 110.169 176.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.18 15.96 80.33 Favored Glycine 0 CA--C 1.499 -0.958 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.013 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.8 m -93.19 -24.76 5.1 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.2 tp -111.98 149.41 32.02 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.88 143.77 43.67 Favored 'General case' 0 C--N 1.308 -1.23 0 O-C-N 123.92 0.763 . . . . 0.0 110.337 -177.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.44 ' HA ' HD13 ' A' ' 70' ' ' ILE . . . -69.94 -24.12 63.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -176.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -85.57 -27.1 25.75 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.0 0.428 . . . . 0.0 111.81 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.65 38.84 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.436 1.094 . . . . 0.0 112.823 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -64.68 -20.94 66.6 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.178 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -67.17 -20.22 65.7 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.236 0.541 . . . . 0.0 110.807 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.04 -14.65 30.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.881 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.7 t -88.93 -37.74 10.48 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.86 29.31 0.13 Allowed 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 114.777 -1.102 . . . . 0.0 112.583 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.6 m -81.99 -8.07 59.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.724 0.773 . . . . 0.0 109.516 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -126.5 126.94 44.57 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 106.959 -1.496 . . . . 0.0 106.959 174.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -89.75 -45.91 8.96 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.095 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 71.15 -43.91 0.57 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.189 1.395 . . . . 0.0 111.415 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.249 1.029 0 C-N-CA 124.709 1.204 . . . . 0.0 108.78 174.327 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.0 mtm . . . . . 0 C--O 1.242 0.662 0 CA-C-O 120.608 0.242 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -166.58 159.95 11.79 Favored Pre-proline 0 N--CA 1.443 -0.793 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -60.18 147.22 94.25 Favored 'Trans proline' 0 C--O 1.24 0.621 0 C-N-CA 122.635 2.224 . . . . 0.0 112.56 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.7 172.68 15.76 Favored 'Trans proline' 0 CA--C 1.545 1.052 0 C-N-CA 122.503 2.135 . . . . 0.0 110.754 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.79 112.18 1.92 Allowed 'Trans proline' 0 CA--C 1.516 -0.39 0 C-N-CA 122.11 1.874 . . . . 0.0 109.877 174.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -87.96 132.43 34.24 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 121.214 0.53 . . . . 0.0 110.325 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' A' ' 51' ' ' LEU . 2.8 mm? -89.44 97.22 11.07 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.699 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.2 t -103.65 112.73 38.28 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.023 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.7 tp -90.69 108.23 19.68 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 11.5 t70 -72.37 105.81 4.25 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.3 mt -75.83 -25.91 56.71 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.455 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -67.39 -46.63 72.68 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.9 178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -70.4 -33.62 71.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.091 177.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 0.3 OUTLIER -61.58 -36.59 81.09 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.667 -178.575 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.93 -9.51 52.31 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.929 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.9 m -104.1 -0.77 28.25 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.041 0.924 . . . . 0.0 109.463 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.4 t -88.93 136.47 30.62 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -46.06 124.13 7.07 Favored 'Trans proline' 0 C--O 1.252 1.22 0 C-N-CA 123.1 2.533 . . . . 0.0 112.416 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.96 -18.3 56.4 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 123.874 0.87 . . . . 0.0 111.623 -177.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.7 -27.18 66.21 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.198 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -117.18 -31.24 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.17 0.51 . . . . 0.0 110.617 177.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.74 -17.06 54.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -176.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.54 -65.55 2.54 Favored Glycine 0 CA--C 1.534 1.25 0 N-CA-C 115.217 0.847 . . . . 0.0 115.217 -176.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -68.2 -20.69 43.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 122.148 1.899 . . . . 0.0 111.707 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.0 tp -71.43 -44.87 64.03 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.686 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -65.12 -38.15 89.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.762 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 2.5 mmp_? -60.8 -47.56 85.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.548 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -55.68 -65.06 0.66 Allowed 'General case' 0 CA--C 1.498 -1.023 0 CA-C-O 121.684 0.754 . . . . 0.0 110.065 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.3 -46.17 17.89 Favored 'General case' 0 C--N 1.28 -2.453 0 CA-C-N 113.253 -1.794 . . . . 0.0 113.191 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.93 -46.37 68.41 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 122.309 -0.245 . . . . 0.0 110.934 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 31.9 m -62.63 -43.49 98.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.707 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.0 mm -59.1 -48.43 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.041 0 O-C-N 123.167 0.292 . . . . 0.0 110.344 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.88 -32.75 74.37 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.9 m -69.59 -39.4 77.31 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.014 0.435 . . . . 0.0 110.08 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 31' ' ' THR . 28.1 mm-40 -71.94 -35.52 69.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 109.85 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HB3' ' OD1' ' A' ' 38' ' ' ASP . 5.5 mmm180 -73.0 -27.7 61.93 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.748 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.78 -41.62 2.99 Favored Glycine 0 C--N 1.307 -1.052 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.428 ' OD1' ' HB3' ' A' ' 36' ' ' ARG . 11.8 p-10 -85.55 98.87 10.88 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 122.319 1.057 . . . . 0.0 112.259 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -93.72 107.14 19.05 Favored 'General case' 0 N--CA 1.425 -1.681 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -72.84 -51.79 17.43 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.79 -46.37 2.51 Favored Glycine 0 N--CA 1.439 -1.163 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.986 176.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -74.52 -53.87 8.63 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 121.692 0.758 . . . . 0.0 109.934 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.6 m -138.13 174.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.241 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.2 tp -143.89 124.51 14.07 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.3 t -101.33 111.57 23.83 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.531 ' HB ' ' CB ' ' A' ' 50' ' ' ASP . 33.3 pt -110.69 164.41 6.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.259 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -78.42 174.35 11.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.902 0.382 . . . . 0.0 110.363 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -68.41 -31.73 71.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.305 -1.369 . . . . 0.0 107.305 174.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.45 -37.45 87.57 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.926 -1.488 . . . . 0.0 110.724 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.531 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 9.2 m-20 -69.39 -38.7 78.09 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.083 177.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 44.8 tp -55.83 -43.18 76.73 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.503 0.668 . . . . 0.0 109.885 177.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' O ' HG23 ' A' ' 56' ' ' VAL . 79.6 mtp180 -66.05 -35.03 79.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.641 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.462 ' O ' HG13 ' A' ' 57' ' ' ILE . 87.7 m -61.96 -41.37 97.91 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.626 178.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.7 mp -55.15 -45.49 75.68 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.17 0.51 . . . . 0.0 110.592 176.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.4 -33.83 75.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.361 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 52' ' ' ARG . 59.4 t -70.85 -34.91 57.86 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.349 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 53' ' ' THR . 49.5 mt -61.18 -44.29 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.571 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.502 ' HB2' ' HG2' ' A' ' 60' ' ' GLN . 4.7 m-85 -96.36 -3.27 44.04 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.222 -173.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 55.85 64.78 1.63 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.924 1.345 . . . . 0.0 109.914 -172.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.502 ' HG2' ' HB2' ' A' ' 58' ' ' TYR . 28.0 mm-40 -124.71 156.98 36.75 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 113.693 -1.594 . . . . 0.0 108.31 -179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 m -87.23 131.56 44.05 Favored Pre-proline 0 C--N 1.28 -2.454 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 176.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -46.35 -33.36 12.3 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 123.954 3.103 . . . . 0.0 114.474 -176.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.642 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 24.1 m -57.9 -49.99 74.85 Favored 'General case' 0 C--O 1.204 -1.304 0 O-C-N 123.439 0.462 . . . . 0.0 110.745 177.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.69 -29.51 23.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.329 0.585 . . . . 0.0 109.681 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.82 -44.8 93.84 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.801 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.467 ' O ' HG13 ' A' ' 70' ' ' ILE . 13.3 p -67.24 -41.96 84.76 Favored 'General case' 0 N--CA 1.408 -2.566 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.684 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 63' ' ' SER . 4.6 mm-40 -59.51 -41.85 90.84 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 123.909 0.755 . . . . 0.0 109.873 -177.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -55.77 -55.6 30.42 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.054 0.542 . . . . 0.0 110.832 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD23 ' CZ3' ' A' ' 72' ' ' TRP . 92.3 mt -61.75 -36.23 80.4 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.81 -177.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 66' ' ' THR . 80.6 mt -67.84 -43.64 85.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.1 m -66.36 -28.06 68.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.263 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.501 ' CZ3' HD23 ' A' ' 69' ' ' LEU . 40.3 m0 -80.46 -16.62 53.91 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.614 0.721 . . . . 0.0 109.665 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.28 23.68 31.17 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.746 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.72 -47.25 12.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-O 121.196 0.522 . . . . 0.0 110.603 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 36.0 tp -109.44 159.06 17.35 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.572 -175.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -100.86 156.31 17.44 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.0 -20.1 65.66 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.358 0.663 . . . . 0.0 111.985 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -57.03 -34.58 68.34 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.568 0.747 . . . . 0.0 110.629 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.66 -24.75 67.92 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.109 -0.95 . . . . 0.0 113.019 -177.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.4 mtp-105 -63.88 -23.6 67.41 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.128 0.489 . . . . 0.0 110.314 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -67.14 -13.57 62.08 Favored 'General case' 0 C--O 1.212 -0.89 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.955 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.31 -13.96 31.65 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.08 0.467 . . . . 0.0 111.046 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.3 t -99.36 -42.19 10.43 Favored 'Isoleucine or valine' 0 C--O 1.246 0.87 0 CA-C-O 121.418 0.628 . . . . 0.0 109.756 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -136.54 153.79 50.9 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.6 p 57.42 30.15 18.12 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.534 1.133 . . . . 0.0 112.515 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -77.18 148.19 36.05 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -117.55 177.54 4.71 Favored 'General case' 0 C--N 1.296 -1.72 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.635 -176.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -99.14 101.41 12.74 Favored 'General case' 0 N--CA 1.423 -1.779 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.518 ' H ' HD23 ' A' ' 89' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.294 -1.811 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.161 -178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 CA--C 1.5 -0.959 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -130.18 142.1 44.23 Favored Pre-proline 0 C--N 1.304 -1.393 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -65.01 146.43 87.46 Favored 'Trans proline' 0 C--O 1.245 0.836 0 C-N-CA 122.207 1.938 . . . . 0.0 110.227 175.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 11.9 Cg_endo -54.6 114.92 2.06 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 123.464 2.776 . . . . 0.0 112.439 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 11.5 Cg_exo -72.46 144.83 41.38 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.399 2.066 . . . . 0.0 111.844 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -112.03 132.61 54.7 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 175.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.4 mt -92.3 115.99 28.57 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.948 -172.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.1 t -93.79 114.05 29.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.156 -177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.2 tp -101.9 124.13 47.0 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -91.09 113.91 26.3 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.7 mt -80.18 -19.41 47.16 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.748 -174.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -80.77 -41.46 23.41 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.968 0.89 . . . . 0.0 108.685 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -64.74 -38.63 91.63 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 114.508 -1.223 . . . . 0.0 107.759 176.449 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.6 -28.76 69.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.223 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.51 -12.25 60.0 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -97.53 -1.46 43.95 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-O 121.845 0.831 . . . . 0.0 108.993 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.6 t -97.67 128.57 33.91 Favored Pre-proline 0 C--N 1.313 -1.002 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -36.76 130.98 0.45 Allowed 'Trans proline' 0 C--O 1.254 1.29 0 C-N-CA 124.631 3.554 . . . . 0.0 113.864 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.7 -18.69 55.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.433 -176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -63.78 -35.85 81.95 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.323 0.582 . . . . 0.0 109.566 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -98.85 -46.18 5.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.449 0.642 . . . . 0.0 109.734 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.15 -8.98 58.36 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -172.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.61 -66.72 2.61 Favored Glycine 0 N--CA 1.472 1.066 0 N-CA-C 114.192 0.437 . . . . 0.0 114.192 -176.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.89 -24.36 74.26 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 122.361 2.041 . . . . 0.0 111.986 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HA ' ' OH ' ' A' ' 58' ' ' TYR . 23.0 tp -71.43 -46.29 60.46 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -62.76 -38.96 92.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.408 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -60.76 -47.61 85.54 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.816 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -71.4 -34.17 70.13 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.006 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.79 95.84 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 122.59 0.356 . . . . 0.0 110.496 177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.22 92.33 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.59 0.709 . . . . 0.0 109.725 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.6 m -63.41 -40.27 96.73 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.302 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.51 -40.21 87.48 Favored 'Isoleucine or valine' 0 C--O 1.246 0.903 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.516 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.26 -39.26 89.7 Favored 'General case' 0 C--O 1.208 -1.111 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.551 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.6 t -62.52 -43.14 99.54 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -56.99 -50.22 73.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.244 0.545 . . . . 0.0 111.02 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -79.96 -10.65 59.79 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.3 34.74 90.73 Favored Glycine 0 CA--C 1.516 0.145 0 N-CA-C 108.701 -1.759 . . . . 0.0 108.701 -172.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -85.81 149.3 25.35 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 114.426 -0.887 . . . . 0.0 110.465 -172.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -136.04 20.93 3.24 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.94 -173.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -73.71 -65.92 0.77 Allowed 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.758 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.12 -16.02 18.86 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.354 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -98.48 -62.3 1.26 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.052 0.453 . . . . 0.0 109.977 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 m -122.39 140.26 46.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.3 tp -120.88 127.36 51.8 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.1 t -95.4 118.9 32.97 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.3 pt -124.83 167.61 18.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.709 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -111.94 175.38 5.45 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.333 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -65.91 -30.9 71.57 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -69.28 -27.13 65.14 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -73.43 -57.07 4.26 Favored 'General case' 0 CA--C 1.485 -1.525 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.407 HD23 HG21 ' A' ' 83' ' ' VAL . 22.3 tp -57.46 -35.5 70.23 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.118 -174.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -65.37 -29.8 70.55 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.082 0.467 . . . . 0.0 110.75 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.461 ' O ' HG13 ' A' ' 57' ' ' ILE . 56.1 m -72.21 -37.15 69.28 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.584 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.43 -34.0 75.91 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.312 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.04 86.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.92 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.81 -37.44 78.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.867 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 53' ' ' THR . 44.3 mt -65.82 -42.56 92.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.661 -178.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' A' ' 25' ' ' LEU . 6.0 m-85 -90.62 -1.45 57.88 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 121.083 0.468 . . . . 0.0 110.787 -175.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 68.75 48.61 0.76 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.783 1.233 . . . . 0.0 110.876 174.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -134.08 156.67 47.84 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.915 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.0 m -76.58 143.28 71.74 Favored Pre-proline 0 C--N 1.302 -1.458 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -42.47 -40.83 7.56 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 124.142 3.228 . . . . 0.0 114.408 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.6 p -60.4 -52.99 62.88 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-O 121.162 0.506 . . . . 0.0 111.267 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.03 -44.23 97.81 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 C-N-CA 123.735 0.814 . . . . 0.0 109.421 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.433 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.4 tm? -56.46 -45.66 80.76 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.747 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.2 m -59.1 -46.2 88.91 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.799 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -64.92 -39.36 93.39 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.739 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.14 -53.43 58.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 65' ' ' LEU . 4.1 mm? -58.04 -41.88 84.19 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.77 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 93.4 mt -71.14 -35.11 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.9 m -65.77 -33.43 75.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.624 0.249 . . . . 0.0 110.939 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -78.5 -13.28 59.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.03 0.443 . . . . 0.0 110.599 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 73.26 19.18 79.57 Favored Glycine 0 CA--C 1.505 -0.575 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.975 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.8 m -96.0 -25.48 4.38 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.31 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 69' ' ' LEU . 48.0 tp -111.84 135.38 52.53 Favored 'General case' 0 N--CA 1.422 -1.875 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 177.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -63.37 129.87 42.06 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 123.919 0.762 . . . . 0.0 109.674 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.11 -36.21 18.29 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 124.283 1.033 . . . . 0.0 112.545 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -53.83 -23.98 14.09 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 124.427 1.091 . . . . 0.0 112.935 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.01 -25.52 58.68 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.179 0.592 . . . . 0.0 112.114 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -23.54 66.62 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.872 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -72.46 -41.96 65.51 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.088 0.471 . . . . 0.0 111.263 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.38 -39.58 67.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.246 -175.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.407 HG21 HD23 ' A' ' 51' ' ' LEU . 41.3 t -84.06 -55.82 6.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.438 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 65.76 172.86 0.23 Allowed 'General case' 0 C--O 1.246 0.881 0 C-N-CA 124.647 1.179 . . . . 0.0 111.756 -176.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.0 m -128.62 5.34 5.59 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 121.581 0.705 . . . . 0.0 109.989 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -114.89 139.8 49.49 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.3 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -126.75 145.67 50.52 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.119 0.485 . . . . 0.0 111.689 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -142.87 -42.24 0.31 Allowed 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.302 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 C--O 1.254 1.297 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 174.903 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptm . . . . . 0 CA--C 1.503 -0.85 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.592 ' O ' ' HD2' ' A' ' 5' ' ' PRO . 39.3 mt-10 -96.5 131.95 27.36 Favored Pre-proline 0 N--CA 1.431 -1.398 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -56.42 -44.74 43.09 Favored 'Trans proline' 0 CA--C 1.568 2.186 0 C-N-CA 123.534 2.823 . . . . 0.0 116.02 176.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -42.14 -49.39 5.93 Favored 'Trans proline' 0 C--N 1.404 3.474 0 C-N-CA 122.528 2.152 . . . . 0.0 115.49 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.592 ' HD2' ' O ' ' A' ' 2' ' ' GLU . 54.3 Cg_exo -63.02 72.7 0.12 Allowed 'Trans proline' 0 C--N 1.384 2.415 0 C-N-CA 122.562 2.175 . . . . 0.0 114.125 173.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -93.38 122.75 36.12 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 174.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.9 mt -108.21 114.64 28.67 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 p -107.85 126.11 64.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 CA-C-O 121.356 0.598 . . . . 0.0 111.585 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.1 mt -106.64 123.15 47.69 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.617 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.15 104.02 8.46 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 173.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.39 -26.84 64.84 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 121.295 0.569 . . . . 0.0 110.465 -178.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.86 -37.55 81.99 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.119 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -75.21 -34.4 61.48 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.6 tp -62.92 -31.3 72.35 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.686 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.2 -7.34 53.58 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.234 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -92.38 -13.93 29.41 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 122.116 0.96 . . . . 0.0 108.73 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.9 t -84.22 137.3 39.9 Favored Pre-proline 0 C--N 1.312 -1.04 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.8 135.41 13.6 Favored 'Trans proline' 0 C--N 1.363 1.333 0 C-N-CA 123.34 2.693 . . . . 0.0 112.119 177.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.16 -18.81 62.05 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 123.656 0.782 . . . . 0.0 112.566 -174.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.42 -40.22 90.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.938 0.399 . . . . 0.0 110.192 175.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -99.51 -35.33 9.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.769 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.37 -35.62 73.63 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.871 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.58 -56.43 22.24 Favored Glycine 0 CA--C 1.534 1.273 0 CA-C-O 119.537 -0.591 . . . . 0.0 114.28 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.65 -30.52 66.42 Favored 'Trans proline' 0 C--N 1.362 1.274 0 C-N-CA 122.84 2.36 . . . . 0.0 112.683 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.4 tp -83.68 -35.24 24.67 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.864 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 12.7 mm-40 -63.09 -32.78 74.24 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-O 120.806 0.336 . . . . 0.0 110.958 175.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -61.19 -40.17 92.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.231 0.539 . . . . 0.0 111.139 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.504 ' O ' HG12 ' A' ' 32' ' ' ILE . 51.4 t80 -72.25 -44.47 62.81 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -59.85 -43.74 94.48 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.93 178.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.77 84.16 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.653 0.74 . . . . 0.0 110.184 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.426 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 75.2 m -69.77 -41.95 74.46 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.277 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 28' ' ' TYR . 51.7 mm -60.2 -46.33 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 98.2 mt-30 -53.34 -56.48 16.39 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.229 0.538 . . . . 0.0 110.396 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.0 p -66.32 -39.11 89.06 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 31' ' ' THR . 80.6 mm-40 -69.51 -30.29 68.11 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 42.5 mtm180 -83.9 -21.62 31.86 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.57 19.27 68.85 Favored Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -176.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -124.37 118.32 26.45 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 123.391 0.676 . . . . 0.0 109.892 -174.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -97.9 104.84 16.91 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -128.25 119.65 25.59 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.95 16.37 23.11 Favored Glycine 0 C--N 1.304 -1.223 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.407 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -60.74 1.47 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.189 0.519 . . . . 0.0 109.936 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.8 m -136.28 152.9 30.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 tp -134.27 113.33 11.85 Favored 'General case' 0 C--N 1.283 -2.294 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.1 p -93.39 107.44 19.27 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-O 121.753 0.787 . . . . 0.0 110.058 176.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 pt -104.23 -179.58 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.552 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.74 -175.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -100.72 169.08 9.26 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.78 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -60.69 -30.03 69.68 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.471 175.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.61 -30.96 64.79 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.932 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 51.3 m-20 -70.19 -47.34 61.96 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.745 -177.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 tp -63.1 -35.99 82.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.425 0.631 . . . . 0.0 109.776 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -64.16 -44.57 91.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.137 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.545 ' O ' HG13 ' A' ' 57' ' ' ILE . 91.7 m -62.81 -38.63 91.46 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.082 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 50' ' ' ASP . 87.6 mt -57.17 -44.9 83.95 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.161 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.09 70.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.987 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.7 t -73.24 -41.21 58.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.929 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 53' ' ' THR . 39.4 mt -62.77 -51.11 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 121.164 0.507 . . . . 0.0 110.619 -178.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -83.49 -10.5 58.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.365 -174.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.5 t70 62.9 59.06 1.42 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.785 1.234 . . . . 0.0 110.133 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -129.99 148.08 51.81 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.121 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m -69.84 142.13 90.59 Favored Pre-proline 0 C--N 1.301 -1.511 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -43.95 -45.54 11.48 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 124.015 3.143 . . . . 0.0 114.527 -176.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.492 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 44.5 t -62.82 -57.1 12.06 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 119.866 -0.111 . . . . 0.0 111.032 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.435 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 34.3 m -65.44 -33.84 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -176.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.52 -46.53 89.55 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 m -66.41 -37.8 86.03 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.676 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 63' ' ' SER . 38.5 mt-10 -57.64 -45.03 86.0 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.356 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.453 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -53.72 -59.82 4.12 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 123.849 0.718 . . . . 0.0 109.742 178.366 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.3 -40.81 78.6 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 98.7 mt -67.1 -41.86 87.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.97 0.414 . . . . 0.0 110.725 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.3 m -70.0 -32.77 71.12 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.462 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -72.48 -17.49 61.76 Favored 'General case' 0 C--O 1.225 -0.211 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.24 12.68 78.48 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.5 t -83.4 -38.89 14.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.511 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 48.9 tp -118.43 156.08 29.65 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 105.799 -1.926 . . . . 0.0 105.799 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -106.28 175.07 5.62 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.794 -1.162 . . . . 0.0 109.806 -177.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -61.69 -42.76 99.36 Favored 'General case' 0 C--O 1.207 -1.141 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -171.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -47.27 -25.96 1.09 Allowed 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.006 1.322 . . . . 0.0 114.058 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.41 ' O ' HG22 ' A' ' 83' ' ' VAL . . . -59.42 -31.88 69.68 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 122.574 0.349 . . . . 0.0 111.767 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 7.3 ptm180 -69.81 -27.92 65.28 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-O 121.2 0.524 . . . . 0.0 109.725 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -79.65 -39.25 31.86 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 5' ' ' PRO . . . -60.59 -37.64 82.03 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.308 178.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 79' ' ' ALA . 33.3 m -99.26 11.55 6.26 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 178.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 56.17 28.26 12.84 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.165 0.986 . . . . 0.0 112.696 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.8 m -121.57 83.8 2.14 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -93.98 -60.29 1.78 Allowed 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -130.76 -39.09 1.26 Allowed 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.717 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -96.74 152.48 18.63 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.46 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 C--N 1.3 -1.546 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 179.086 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 mtt . . . . . 0 CA--C 1.5 -0.98 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.83 117.07 58.1 Favored Pre-proline 0 C--O 1.243 0.755 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 25.2 Cg_exo -68.9 120.88 7.74 Favored 'Trans proline' 0 C--O 1.252 1.201 0 C-N-CA 122.699 2.266 . . . . 0.0 111.08 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 9.8 Cg_exo -73.01 149.83 47.52 Favored 'Trans proline' 0 C--O 1.243 0.731 0 C-N-CA 122.656 2.237 . . . . 0.0 110.149 176.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.0 114.53 1.3 Allowed 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 123.694 2.93 . . . . 0.0 113.334 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -82.88 124.55 30.44 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.1 108.95 20.21 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 75' ' ' LEU . 60.9 t -89.39 112.99 25.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.367 -176.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.8 tp -94.6 104.73 16.67 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.01 107.36 8.16 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -75.6 -28.82 59.05 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.391 -174.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -63.88 -44.67 92.34 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.955 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -70.06 -47.75 60.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.585 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 tp -55.14 -41.52 71.87 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.702 0.801 . . . . 0.0 112.264 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.72 -17.3 64.78 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.0 m -91.52 -16.73 26.76 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-O 121.428 0.633 . . . . 0.0 110.491 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -77.96 129.92 74.48 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -44.6 139.59 7.04 Favored 'Trans proline' 0 C--N 1.366 1.45 0 C-N-CA 123.942 3.094 . . . . 0.0 113.998 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.18 -26.23 62.52 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 124.489 1.116 . . . . 0.0 112.062 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -64.11 -21.93 66.73 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.791 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -111.17 -52.65 2.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.903 0.382 . . . . 0.0 110.541 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.36 2.13 33.59 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -172.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.95 -60.81 8.25 Favored Glycine 0 N--CA 1.474 1.185 0 N-CA-C 114.448 0.539 . . . . 0.0 114.448 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.87 -22.37 63.29 Favored 'Trans proline' 0 C--O 1.244 0.811 0 C-N-CA 121.85 1.7 . . . . 0.0 111.635 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.0 tp -75.44 -41.51 55.65 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.853 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -62.74 -40.67 97.96 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -60.64 -50.06 75.03 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.224 177.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.451 ' O ' HG13 ' A' ' 32' ' ' ILE . 3.3 t80 -62.56 -45.16 94.19 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.739 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.92 -43.35 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.866 0.467 . . . . 0.0 111.244 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.57 71.51 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-O 121.202 0.525 . . . . 0.0 110.429 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.416 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 41.1 m -71.85 -40.55 68.96 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.427 -0.806 . . . . 0.0 108.983 177.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 28' ' ' TYR . 62.5 mt -61.7 -41.46 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 176.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -58.82 -42.09 88.36 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.669 176.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.4 t -64.72 -44.73 89.24 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 31' ' ' THR . 96.1 mt-30 -64.43 -24.05 67.49 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.217 0.607 . . . . 0.0 111.381 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -95.11 -19.66 19.94 Favored 'General case' 0 C--N 1.313 -0.983 0 O-C-N 122.19 -0.319 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.78 40.01 58.88 Favored Glycine 0 C--O 1.238 0.374 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 -171.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -89.87 142.76 27.39 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.277 -0.961 . . . . 0.0 111.82 -174.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -138.51 10.85 2.73 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.752 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -120.87 46.06 2.11 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.601 1.191 . . . . 0.0 108.052 -174.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.25 54.39 3.56 Favored Glycine 0 N--CA 1.434 -1.498 0 CA-C-N 114.348 -1.296 . . . . 0.0 115.58 -175.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -85.45 -44.38 12.79 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.33 144.75 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.833 0 CA-C-N 113.65 -1.614 . . . . 0.0 106.902 174.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.9 tp -125.19 124.1 41.02 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -84.32 107.28 16.52 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.7 pt -98.57 171.42 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.62 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.515 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -103.57 167.2 9.95 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -174.263 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -64.1 -49.14 73.41 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 52' ' ' ARG . 10.6 t70 -67.66 -26.89 66.44 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.142 177.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.433 ' HB2' ' HB2' ' A' ' 47' ' ' ARG . 2.6 t70 -68.73 -46.97 67.51 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.56 -34.84 76.53 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.842 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.488 ' HB3' ' O ' ' A' ' 49' ' ' ASP . 75.4 ttt180 -53.78 -43.95 69.69 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.274 1.029 . . . . 0.0 109.087 173.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.7 m -67.09 -49.93 63.35 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.234 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.07 -45.87 82.92 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.789 0.835 . . . . 0.0 113.036 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.41 ' HA ' ' HG ' ' A' ' 65' ' ' LEU . . . -53.59 -39.86 65.2 Favored 'General case' 0 C--O 1.246 0.877 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.83 -32.78 56.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.399 -177.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.44 -32.2 57.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.123 0.487 . . . . 0.0 109.93 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -101.06 7.5 43.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 -174.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 60.98 28.95 18.71 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.666 0.786 . . . . 0.0 111.649 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -103.26 139.24 38.97 Favored 'General case' 0 N--CA 1.421 -1.919 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.613 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.5 t -65.74 135.52 95.57 Favored Pre-proline 0 N--CA 1.424 -1.761 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 172.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -49.57 -40.32 45.94 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.27 2.647 . . . . 0.0 112.135 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 m -60.3 -45.56 92.94 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 123.419 0.687 . . . . 0.0 110.421 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.5 t -74.88 -46.73 39.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.695 -177.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.41 ' HG ' ' HA ' ' A' ' 55' ' ' ALA . 3.2 tm? -55.81 -53.86 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.414 0.686 . . . . 0.0 110.533 -177.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.465 ' O ' HG13 ' A' ' 70' ' ' ILE . 26.3 m -58.37 -45.91 87.35 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.483 0.489 . . . . 0.0 110.812 -178.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.92 -28.36 65.53 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -61.05 -54.3 46.46 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.19 -41.17 87.88 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.433 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 66' ' ' THR . 91.9 mt -61.28 -46.15 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 176.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -65.67 -34.08 77.38 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -70.24 -16.97 63.11 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.977 0.894 . . . . 0.0 109.864 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.43 35.98 6.74 Favored Glycine 0 CA--C 1.483 -1.93 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.4 t -93.4 -48.06 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 CA-C-N 114.647 -0.776 . . . . 0.0 110.175 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.431 ' HB3' ' O ' ' A' ' 8' ' ' VAL . 2.5 pt? -131.92 173.76 10.86 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.33 156.08 33.63 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.881 -177.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.46 -12.89 60.95 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 124.168 0.987 . . . . 0.0 113.545 -175.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.439 ' HA ' ' NH2' ' A' ' 81' ' ' ARG . 26.9 t70 -70.25 -19.61 63.11 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.01 0.524 . . . . 0.0 111.961 -177.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' HB3' HD11 ' A' ' 70' ' ' ILE . . . -44.48 -25.4 0.26 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -176.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -59.72 -29.88 68.43 Favored 'General case' 0 C--O 1.246 0.911 0 O-C-N 122.227 -0.296 . . . . 0.0 110.415 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' NH2' ' HA ' ' A' ' 78' ' ' ASP . 2.8 mpp_? -63.05 -22.99 67.24 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.28 -33.96 69.99 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.214 0.531 . . . . 0.0 110.703 -179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.7 t -104.54 -30.97 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.98 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.93 -15.86 52.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -175.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 t -65.74 -36.85 84.75 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.652 0.739 . . . . 0.0 109.026 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -112.74 62.88 0.63 Allowed 'General case' 0 N--CA 1.428 -1.575 0 CA-C-O 122.628 1.204 . . . . 0.0 109.28 177.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -76.7 103.69 6.8 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -130.52 -176.88 4.11 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.069 -171.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--N 1.307 -1.252 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 176.713 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.1 mmm . . . . . 0 CA--C 1.487 -1.447 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -79.34 122.06 83.61 Favored Pre-proline 0 N--CA 1.431 -1.404 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 175.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.46 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 30.6 Cg_endo -61.51 113.36 1.77 Allowed 'Trans proline' 0 C--O 1.246 0.9 0 C-N-CA 123.228 2.619 . . . . 0.0 114.463 -172.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -89.87 105.08 0.35 Allowed 'Trans proline' 0 N--CA 1.444 -1.39 0 C-N-CA 123.074 2.516 . . . . 0.0 110.116 175.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.468 ' HD2' ' NE2' ' A' ' 48' ' ' GLN . 14.0 Cg_exo -70.45 125.3 11.64 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.574 2.183 . . . . 0.0 113.195 -177.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -90.0 139.72 30.33 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 173.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.5 mt -98.38 118.07 34.23 Favored 'General case' 0 C--N 1.286 -2.16 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -89.25 112.7 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.585 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.6 tp -93.84 121.98 35.85 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -81.52 109.2 15.75 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 41' ' ' GLY . 76.4 mt -80.02 -17.56 52.48 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.677 -175.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.26 -43.08 64.86 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.2 mmm180 -65.63 -39.63 91.67 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.367 174.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.54 -32.71 74.25 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.378 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.5 -22.73 54.1 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.543 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.41 -25.59 20.31 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 119.999 -0.68 . . . . 0.0 111.964 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 13' ' ' ARG . 96.9 t -68.12 129.24 93.11 Favored Pre-proline 0 C--O 1.241 0.639 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 174.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -45.93 137.94 12.54 Favored 'Trans proline' 0 C--O 1.261 1.648 0 C-N-CA 123.61 2.873 . . . . 0.0 113.664 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.28 -17.3 52.88 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.881 1.273 . . . . 0.0 111.847 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -50.1 -44.93 52.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -106.12 -49.4 3.38 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.387 -174.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.55 -7.52 57.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.77 -65.09 3.67 Favored Glycine 0 N--CA 1.473 1.119 0 N-CA-C 114.271 0.468 . . . . 0.0 114.271 -175.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -60.15 -26.13 81.73 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.575 2.183 . . . . 0.0 112.41 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.71 -39.11 67.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.915 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.79 -38.17 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.277 0.56 . . . . 0.0 109.516 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -70.95 -37.66 72.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.728 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CE2' HD11 ' A' ' 32' ' ' ILE . 84.7 t80 -59.28 -46.4 88.64 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -61.6 -46.62 89.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.244 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.1 72.71 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.303 0.641 . . . . 0.0 110.813 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 85.6 m -63.32 -45.47 91.14 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.907 177.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.543 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 56.2 mt -63.25 -49.31 83.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 27.5 mt-30 -51.7 -53.8 35.2 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.91 0.884 . . . . 0.0 111.498 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 p -63.16 -37.76 88.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.559 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 31' ' ' THR . 28.2 mt-30 -65.96 -41.88 90.68 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 120.592 0.235 . . . . 0.0 110.878 178.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 22.9 mmt180 -77.15 -21.12 54.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.306 0.574 . . . . 0.0 110.492 -177.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.17 23.15 66.59 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -176.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -113.03 112.16 23.4 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-N 115.145 -0.528 . . . . 0.0 110.966 -176.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -100.97 71.91 1.45 Allowed 'General case' 0 N--CA 1.424 -1.771 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 172.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -78.95 -37.93 38.37 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 113.922 -1.49 . . . . 0.0 109.07 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . 68.54 -45.63 0.38 Allowed Glycine 0 C--O 1.21 -1.405 0 N-CA-C 117.943 1.937 . . . . 0.0 117.943 166.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.8 -37.9 67.4 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 117.77 0.785 . . . . 0.0 112.271 -174.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.7 m -144.85 173.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.5 tp -151.09 140.63 21.59 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 174.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.7 t -95.73 111.46 23.4 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.3 pt -115.49 161.53 14.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -91.37 169.33 10.89 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.468 ' NE2' ' HD2' ' A' ' 5' ' ' PRO . 44.6 mt-30 -67.46 -29.7 69.23 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.038 0.923 . . . . 0.0 108.519 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.22 -28.57 62.24 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.276 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.502 ' O ' HD13 ' A' ' 54' ' ' LEU . 11.7 m-20 -63.4 -44.53 94.39 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 174.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -53.71 -44.4 69.78 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.177 0.991 . . . . 0.0 109.284 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 43.4 mtp-105 -66.24 -35.38 80.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.073 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.452 ' O ' HG13 ' A' ' 57' ' ' ILE . 31.1 m -69.08 -39.87 78.8 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.079 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 50' ' ' ASP . 8.0 mp -54.05 -43.35 70.15 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.298 0.639 . . . . 0.0 111.317 176.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.89 -36.78 75.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.959 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.93 -42.45 79.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 53' ' ' THR . 42.5 mt -61.92 -48.25 89.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.17 -177.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -90.86 3.81 53.48 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.684 -0.407 . . . . 0.0 111.323 -173.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 57.37 62.52 2.14 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.93 0.892 . . . . 0.0 110.737 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -135.8 171.05 15.02 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.619 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.3 m -92.04 144.36 29.05 Favored Pre-proline 0 C--N 1.296 -1.728 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -51.79 -38.13 66.73 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.862 2.375 . . . . 0.0 112.228 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 5.9 m -58.11 -57.28 13.53 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.681 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.48 -27.15 35.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 121.037 0.446 . . . . 0.0 110.761 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 1.9 tm? -66.17 -40.49 90.54 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.5 m -67.44 -43.36 81.33 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 63' ' ' SER . 46.1 mt-10 -55.86 -51.61 66.92 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.155 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -57.17 -53.37 58.83 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 123.695 0.622 . . . . 0.0 111.281 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 65' ' ' LEU . 22.8 mt -61.04 -40.97 95.63 Favored 'General case' 0 C--O 1.249 1.06 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -66.65 -39.5 83.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-O 120.59 0.233 . . . . 0.0 110.455 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.4 m -68.72 -33.95 74.8 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -76.26 -17.54 59.43 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.34 0.59 . . . . 0.0 109.786 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.54 7.27 72.3 Favored Glycine 0 N--CA 1.442 -0.9 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.847 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.472 HG12 ' CB ' ' A' ' 13' ' ' ARG . 23.3 m -81.07 -19.23 11.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.135 0.493 . . . . 0.0 109.72 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.1 tp -129.83 146.09 51.57 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -77.96 151.29 33.75 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 80' ' ' ARG . . . -59.9 -31.42 69.79 Favored 'General case' 0 C--O 1.204 -1.311 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.67 -20.76 36.01 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 118.246 0.475 . . . . 0.0 112.21 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.62 -29.84 71.03 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.031 -0.532 . . . . 0.0 112.095 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 7.5 ptm180 -60.9 -34.84 75.28 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.813 0.816 . . . . 0.0 109.968 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -84.25 -42.52 15.79 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.029 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.54 -53.27 54.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.134 -0.939 . . . . 0.0 112.026 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.8 t -77.45 -14.3 14.3 Favored 'Isoleucine or valine' 0 C--O 1.248 1.01 0 CA-C-O 121.208 0.528 . . . . 0.0 110.182 -176.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 64.16 68.67 0.55 Allowed 'General case' 0 C--O 1.243 0.716 0 C-N-CA 124.393 1.077 . . . . 0.0 110.577 -178.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.41 ' HB2' ' HA ' ' A' ' 63' ' ' SER . 2.9 p -138.57 121.35 16.46 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.842 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -94.0 143.9 25.94 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 -177.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -76.65 117.62 18.47 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 176.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -145.98 100.03 3.34 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.696 -174.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 C--N 1.304 -1.391 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 175.689 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtm . . . . . 0 CA--C 1.504 -0.817 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -164.58 114.61 0.91 Allowed Pre-proline 0 N--CA 1.434 -1.263 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 63.8 Cg_endo -78.98 140.49 16.02 Favored 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 121.895 1.73 . . . . 0.0 111.821 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 3' ' ' PRO . 13.6 Cg_exo -73.05 103.67 1.64 Allowed 'Trans proline' 0 C--O 1.241 0.626 0 C-N-CA 122.135 1.89 . . . . 0.0 108.226 170.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -91.96 127.02 0.94 Allowed 'Trans proline' 0 N--CA 1.438 -1.787 0 C-N-CA 122.329 2.02 . . . . 0.0 116.393 -167.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 36.3 mtmm -115.73 99.4 7.28 Favored 'General case' 0 N--CA 1.426 -1.641 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 169.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.12 114.91 11.82 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.663 -175.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.5 t -89.47 122.69 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.292 -177.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.4 mt -106.89 127.07 53.11 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.568 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -79.32 115.26 18.86 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.5 mt -80.37 -25.47 39.14 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -174.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -79.18 -34.8 42.71 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.132 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.2 tpp180 -65.89 -38.48 88.87 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 176.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.5 tp -57.62 -40.31 78.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.773 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.65 -21.55 63.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.959 0.409 . . . . 0.0 111.566 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.9 p -94.36 10.41 34.4 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.369 0.604 . . . . 0.0 111.666 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 13' ' ' ARG . 94.3 t -101.13 136.0 19.8 Favored Pre-proline 0 C--N 1.317 -0.831 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -38.42 134.86 0.75 Allowed 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 124.781 3.654 . . . . 0.0 114.365 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.14 -22.94 63.48 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.335 1.054 . . . . 0.0 112.789 -176.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -67.77 -33.39 74.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.618 0.723 . . . . 0.0 110.274 177.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -97.85 -53.8 3.29 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.495 -176.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -91.97 -8.72 45.38 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.16 -58.92 10.94 Favored Glycine 0 N--CA 1.47 0.955 0 O-C-N 123.423 0.452 . . . . 0.0 112.973 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -58.0 -34.12 98.03 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.162 1.908 . . . . 0.0 111.752 176.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.5 tp -71.94 -28.7 63.63 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.724 -177.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 72.9 mm-40 -58.43 -48.06 81.92 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 175.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -62.21 -51.08 69.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.139 -1.392 . . . . 0.0 109.791 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.49 ' CE2' HD11 ' A' ' 32' ' ' ILE . 84.0 t80 -54.53 -53.84 49.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.793 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.64 99.16 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.446 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.2 77.57 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.989 0.423 . . . . 0.0 111.054 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 56.6 m -66.91 -44.04 81.78 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.776 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.49 HD11 ' CE2' ' A' ' 28' ' ' TYR . 74.2 mt -56.52 -47.72 81.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 O-C-N 123.462 0.476 . . . . 0.0 109.725 178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -59.46 -57.06 14.64 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.381 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -53.86 -42.89 69.07 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.063 0.945 . . . . 0.0 111.804 -177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -67.31 -34.02 76.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.903 0.383 . . . . 0.0 111.989 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -91.24 7.02 42.82 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.31 9.09 48.67 Favored Glycine 0 C--N 1.32 -0.333 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.551 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 78.49 139.47 0.07 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.5 1.52 . . . . 0.0 112.428 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -134.6 -177.03 4.42 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.88 -177.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 42' ' ' LYS . 88.1 m-20 -71.35 116.96 12.29 Favored 'General case' 0 N--CA 1.427 -1.597 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.85 21.75 0.59 Allowed Glycine 0 C--N 1.296 -1.682 0 CA-C-N 115.414 -0.812 . . . . 0.0 114.529 -177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 40' ' ' ASN . 50.8 mtmt -100.58 -49.55 4.17 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 123.631 0.772 . . . . 0.0 109.723 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.4 m -140.49 142.82 30.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.323 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 53.8 tp -122.54 154.86 37.33 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' A' ' 6' ' ' LYS . 20.2 m -135.36 127.78 30.43 Favored 'General case' 0 C--N 1.31 -1.146 0 O-C-N 122.034 -0.417 . . . . 0.0 110.781 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 pp -137.97 176.49 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 122.824 0.45 . . . . 0.0 111.334 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -94.74 167.61 11.34 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.584 0.707 . . . . 0.0 112.111 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -57.34 -38.06 73.54 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.587 -1.188 . . . . 0.0 113.174 -175.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -76.46 -23.72 53.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.631 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -77.17 -42.85 36.04 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.5 tp -64.43 -28.6 69.79 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.203 0.525 . . . . 0.0 110.941 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -67.31 -22.23 65.63 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.95 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.555 ' O ' HG13 ' A' ' 57' ' ' ILE . 22.9 m -61.48 -31.85 71.84 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.595 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.44 -34.86 76.13 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.027 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.19 -33.6 76.39 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.589 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.6 t -75.26 -38.5 41.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.23 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 53' ' ' THR . 48.6 mt -61.54 -50.69 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.793 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -88.0 -1.83 58.23 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.317 -175.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 53.54 66.16 1.31 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.491 1.138 . . . . 0.0 111.808 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -142.54 167.3 22.41 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 113.774 -1.557 . . . . 0.0 108.212 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.0 t -83.59 147.85 53.5 Favored Pre-proline 0 C--N 1.303 -1.428 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.86 -29.98 45.59 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 123.172 2.581 . . . . 0.0 112.156 177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m -56.59 -45.95 81.11 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.189 0.996 . . . . 0.0 112.139 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.5 -28.11 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.216 0.531 . . . . 0.0 109.978 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -64.4 -54.77 27.49 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.052 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 t -63.3 -34.66 78.17 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.94 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.45 -37.28 86.97 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.852 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -63.88 -54.25 37.74 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 110.617 -0.142 . . . . 0.0 110.617 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.03 -41.39 71.29 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 123.396 0.435 . . . . 0.0 111.974 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.9 mt -72.23 -37.5 59.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.596 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 78.5 p -68.81 -28.45 66.76 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.811 -0.555 . . . . 0.0 112.001 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 22.7 m0 -80.82 -16.73 52.97 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-O 121.014 0.435 . . . . 0.0 110.46 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.58 16.18 71.59 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.199 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.1 t -82.92 -36.38 13.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.4 tp -116.45 144.31 44.47 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -67.55 144.3 55.69 Favored 'General case' 0 C--O 1.241 0.646 0 O-C-N 123.776 0.672 . . . . 0.0 110.598 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.02 -33.97 69.54 Favored 'General case' 0 C--O 1.197 -1.698 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.9 -20.29 33.29 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.62 -24.34 60.82 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.159 0.584 . . . . 0.0 111.82 -178.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 80' ' ' ARG . 12.7 ptm180 -50.59 -31.52 16.15 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.531 1.132 . . . . 0.0 111.958 176.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -68.71 -26.88 65.5 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.684 0.278 . . . . 0.0 111.266 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.92 -44.56 15.21 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.986 0.422 . . . . 0.0 110.38 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 p -75.35 -16.88 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.317 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.64 103.11 0.22 Allowed 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.616 0.722 . . . . 0.0 109.58 176.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.5 m -97.64 -177.78 3.91 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.59 -175.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -60.37 144.58 50.46 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 175.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.18 104.54 5.01 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-O 121.553 0.692 . . . . 0.0 111.721 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -117.84 154.81 31.18 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.296 -1.741 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 CA--C 1.548 0.873 0 CA-C-O 121.532 0.682 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.59 112.37 28.47 Favored Pre-proline 0 C--N 1.313 -0.981 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -174.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -87.21 169.83 7.19 Favored 'Trans proline' 0 C--O 1.246 0.899 0 C-N-CA 122.617 2.211 . . . . 0.0 112.018 -175.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -61.37 125.32 16.6 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 N-CA-C 107.439 -1.793 . . . . 0.0 107.439 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -31.19 108.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 124.96 3.773 . . . . 0.0 114.286 -174.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -75.36 114.22 13.65 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 45' ' ' SER . 67.8 mt -85.11 96.74 9.54 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.253 -175.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.8 t -99.46 112.66 32.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -99.55 129.27 45.7 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.4 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.8 t70 -85.25 106.59 16.78 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 mt -75.55 -17.55 60.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.107 -174.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -73.47 -42.65 61.63 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 17' ' ' VAL . 31.1 tpt180 -61.67 -32.88 73.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.255 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.33 -12.34 61.58 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.455 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.73 -29.36 32.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.994 0.426 . . . . 0.0 110.056 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p -88.72 -10.61 47.77 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.31 0.576 . . . . 0.0 111.961 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 13' ' ' ARG . 97.2 t -91.3 132.05 34.93 Favored Pre-proline 0 C--N 1.312 -1.034 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 175.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -45.06 140.95 6.84 Favored 'Trans proline' 0 C--O 1.253 1.247 0 C-N-CA 123.559 2.84 . . . . 0.0 113.864 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -17.74 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.157 0.983 . . . . 0.0 111.687 -177.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -75.24 -12.32 60.26 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.52 176.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' HB3' ' CZ2' ' A' ' 72' ' ' TRP . 54.3 mttm -113.17 -53.07 2.74 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 177.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.95 -7.62 36.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -173.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.508 ' O ' ' HG2' ' A' ' 27' ' ' ARG . . . -59.77 -61.86 6.75 Favored Glycine 0 C--N 1.314 -0.648 0 CA-C-O 119.513 -0.604 . . . . 0.0 113.61 -177.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.42 -22.89 65.53 Favored 'Trans proline' 0 C--N 1.364 1.37 0 C-N-CA 121.973 1.782 . . . . 0.0 111.81 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.515 ' HB2' ' OH ' ' A' ' 58' ' ' TYR . 4.1 tt -70.57 -46.49 63.4 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 177.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -64.63 -31.42 72.64 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.417 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 23' ' ' GLY . 35.3 mmt180 -61.32 -50.3 73.53 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 175.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.45 ' O ' HG12 ' A' ' 32' ' ' ILE . 52.5 t80 -56.83 -48.22 78.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.424 177.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.09 -50.9 71.36 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.363 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.8 83.58 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.264 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 68.1 m -61.95 -46.9 87.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.65 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 49.4 mm -59.53 -45.26 94.06 Favored 'Isoleucine or valine' 0 C--O 1.249 1.054 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -57.78 -54.51 46.03 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 123.728 0.642 . . . . 0.0 110.257 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 p -67.91 -31.94 72.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 31' ' ' THR . 81.6 mm-40 -65.65 -41.67 92.3 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.537 178.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 6.3 ptm180 -88.52 -12.09 43.87 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.829 -0.748 . . . . 0.0 111.008 177.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.67 29.93 74.29 Favored Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.691 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -98.01 -170.53 1.99 Allowed 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.162 -176.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -122.36 -178.75 3.97 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -171.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.8 t30 72.41 90.26 0.09 Allowed 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.227 0.955 . . . . 0.0 112.189 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.44 30.41 9.91 Favored Glycine 0 N--CA 1.434 -1.461 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.095 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -95.95 -29.45 14.15 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.096 0.474 . . . . 0.0 109.796 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.5 m -143.38 138.37 26.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 123.938 0.895 . . . . 0.0 109.577 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.5 tp -124.79 124.2 41.62 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 18.8 m -101.52 110.13 22.07 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.461 ' HB ' ' CB ' ' A' ' 50' ' ' ASP . 38.5 pt -105.73 171.3 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-O 120.841 0.353 . . . . 0.0 111.111 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -98.73 -178.95 4.14 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.252 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -60.73 -49.96 75.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.664 0.785 . . . . 0.0 111.672 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -69.21 -21.75 63.93 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.424 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.461 ' CB ' ' HB ' ' A' ' 46' ' ' ILE . 78.9 m-20 -70.13 -45.93 65.84 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.382 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.5 tp -60.02 -38.43 82.65 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.744 0.783 . . . . 0.0 109.477 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.2 mtp180 -61.67 -44.3 97.22 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.679 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.3 m -64.83 -34.91 79.49 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.221 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.14 -37.61 83.46 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.115 0.483 . . . . 0.0 111.151 174.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.7 81.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.137 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 52' ' ' ARG . 65.9 t -67.7 -30.13 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.506 -177.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.8 mt -59.16 -41.62 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-O 121.628 0.728 . . . . 0.0 109.475 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.515 ' OH ' ' HB2' ' A' ' 25' ' ' LEU . 7.8 m-85 -97.15 -0.56 46.74 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.663 -175.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 63.52 31.99 14.48 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 122.128 0.966 . . . . 0.0 110.562 -176.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -103.5 166.73 10.25 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.404 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.5 t -89.2 142.88 30.3 Favored Pre-proline 0 C--N 1.29 -2.013 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -54.1 -27.5 46.48 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 123.459 2.773 . . . . 0.0 113.429 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.7 m -64.44 -56.68 12.63 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 122.53 0.332 . . . . 0.0 111.365 -178.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.35 -26.35 31.33 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 121.609 0.719 . . . . 0.0 109.971 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.4 tm? -65.25 -53.61 41.78 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.706 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.6 t -65.64 -31.92 73.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.316 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -63.92 -44.71 92.08 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 123.114 0.259 . . . . 0.0 110.912 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -63.85 -46.53 84.6 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.817 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 65' ' ' LEU . 3.5 mm? -52.84 -42.55 65.29 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.862 0.465 . . . . 0.0 112.222 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.2 mt -75.25 -36.56 37.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 120.902 0.382 . . . . 0.0 110.336 178.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.8 t -73.44 -30.41 63.18 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.413 ' CZ2' ' HB3' ' A' ' 21' ' ' LYS . 45.1 m0 -73.1 -16.65 61.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 121.322 0.582 . . . . 0.0 109.509 177.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.95 25.12 46.4 Favored Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.583 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.411 HG12 ' HB2' ' A' ' 72' ' ' TRP . 2.9 p -101.23 -31.71 3.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 O-C-N 122.612 -0.346 . . . . 0.0 110.919 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -109.92 146.43 35.19 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.13 148.94 51.19 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.228 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.31 96.48 Favored 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 123.279 0.631 . . . . 0.0 112.378 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.85 -20.03 63.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.421 0.689 . . . . 0.0 111.894 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.18 -23.82 56.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.529 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -43.17 -31.46 0.59 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.331 1.452 . . . . 0.0 112.838 176.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.522 ' HA ' ' HB3' ' A' ' 84' ' ' ALA . 69.5 mtt85 -72.56 -14.11 61.55 Favored 'General case' 0 C--O 1.222 -0.392 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -175.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.76 -53.8 54.14 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 123.454 0.471 . . . . 0.0 111.686 -177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.7 m -100.07 16.1 4.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-O 121.597 0.713 . . . . 0.0 110.651 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.522 ' HB3' ' HA ' ' A' ' 81' ' ' ARG . . . -105.52 -64.49 1.14 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.217 177.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.5 p -151.51 87.77 1.39 Allowed 'General case' 0 N--CA 1.421 -1.885 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.37 -176.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -100.25 156.32 17.28 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 172.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 76.83 -31.34 0.18 Allowed 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.659 1.184 . . . . 0.0 111.682 -173.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -82.37 80.86 8.43 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 171.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 -178.121 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 CA--C 1.504 -0.801 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 34.7 tt0 -65.62 -50.17 57.4 Favored Pre-proline 0 CA--C 1.554 1.123 0 O-C-N 124.064 0.853 . . . . 0.0 109.406 173.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 2' ' ' GLU . 16.3 Cg_exo -72.95 115.89 4.52 Favored 'Trans proline' 0 C--N 1.39 2.74 0 C-N-CA 121.339 1.359 . . . . 0.0 108.946 171.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.57 147.85 58.56 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.474 2.116 . . . . 0.0 112.361 -175.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.17 129.78 29.87 Favored 'Trans proline' 0 C--O 1.245 0.837 0 C-N-CA 123.368 2.712 . . . . 0.0 113.368 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -92.37 140.53 29.49 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.94 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.5 mt -107.53 140.82 39.93 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.342 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -97.94 119.98 46.68 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.754 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.8 tp -103.34 126.19 50.37 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -85.52 115.11 23.04 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.05 -28.77 60.53 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -174.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -78.93 -38.21 37.87 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.552 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -67.73 -33.81 75.62 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.55 -40.86 88.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.296 175.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.72 -9.08 58.22 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.601 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 m -92.83 -8.0 44.77 Favored 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 122.051 0.929 . . . . 0.0 109.047 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.501 ' HB ' ' HB2' ' A' ' 22' ' ' ALA . 97.9 t -86.87 140.19 33.05 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.392 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -45.01 141.04 6.62 Favored 'Trans proline' 0 CA--C 1.554 1.517 0 C-N-CA 123.828 3.019 . . . . 0.0 113.385 175.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.43 63.3 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.198 1.399 . . . . 0.0 113.901 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -69.42 -7.13 34.91 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -123.31 -37.92 2.63 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.079 0.466 . . . . 0.0 110.295 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.501 ' HB2' ' HB ' ' A' ' 17' ' ' VAL . . . -78.41 -39.79 37.87 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.68 -62.24 3.37 Favored Glycine 0 N--CA 1.475 1.287 0 N-CA-C 115.029 0.772 . . . . 0.0 115.029 -173.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.32 -32.93 97.17 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.514 2.143 . . . . 0.0 112.535 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.1 tp -78.17 -33.04 50.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.546 -178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 51.5 mt-30 -66.41 -37.68 85.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -62.25 -48.35 80.36 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.174 174.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.489 ' O ' HG12 ' A' ' 32' ' ' ILE . 37.3 t80 -55.22 -50.55 69.13 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.969 0.793 . . . . 0.0 109.303 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.586 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -58.23 -46.92 85.03 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.95 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.48 79.66 Favored 'General case' 0 C--O 1.247 0.956 0 C-N-CA 122.729 0.412 . . . . 0.0 110.956 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.8 m -64.64 -48.08 76.15 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.495 HD13 HE21 ' A' ' 35' ' ' GLN . 46.6 mm -56.63 -51.2 69.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 C-N-CA 123.21 0.604 . . . . 0.0 110.934 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.4 mm100 -51.94 -45.81 64.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.606 0.762 . . . . 0.0 110.521 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 m -74.16 -46.16 44.12 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.999 -1.001 . . . . 0.0 112.979 -176.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.495 HE21 HD13 ' A' ' 32' ' ' ILE . 30.0 pt20 -75.27 -30.13 60.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -83.07 -26.29 31.25 Favored 'General case' 0 CA--C 1.51 -0.58 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.005 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.27 26.36 36.79 Favored Glycine 0 N--CA 1.44 -1.083 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -127.63 93.46 3.71 Favored 'General case' 0 CA--C 1.489 -1.38 0 CA-C-N 115.558 -0.321 . . . . 0.0 110.175 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -87.44 74.21 9.4 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 174.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -81.59 109.99 16.54 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.61 -53.1 47.72 Favored Glycine 0 C--N 1.299 -1.497 0 N-CA-C 117.002 1.561 . . . . 0.0 117.002 -170.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.515 ' HG3' HG13 ' A' ' 43' ' ' VAL . 22.4 tptm -82.83 -50.99 8.06 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 117.644 0.722 . . . . 0.0 112.748 -173.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.515 HG13 ' HG3' ' A' ' 42' ' ' LYS . 35.6 m -127.76 166.19 25.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 CA-C-O 121.011 0.434 . . . . 0.0 111.186 -175.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.505 HD13 ' OE1' ' A' ' 33' ' ' GLN . 51.1 tp -133.84 128.55 34.91 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.0 p -103.89 118.49 36.81 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.439 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 50' ' ' ASP . 33.3 pt -119.79 170.38 9.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.481 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -102.71 179.31 4.32 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.5 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.521 ' NE2' ' H ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -68.58 -23.83 64.53 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.32 177.324 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.481 ' OD1' ' HB2' ' A' ' 47' ' ' ARG . 5.3 p-10 -71.72 -27.15 62.81 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 44.8 m-20 -76.44 -44.43 35.81 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.2 tp -56.15 -47.3 78.46 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.379 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -59.53 -38.31 80.68 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 121.226 0.536 . . . . 0.0 110.101 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.508 ' O ' HG13 ' A' ' 57' ' ' ILE . 87.3 m -67.46 -34.18 76.65 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.874 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 99.1 mt -59.12 -42.75 91.31 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.071 0.462 . . . . 0.0 109.912 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.34 -32.51 73.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.56 -43.01 41.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.457 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 53' ' ' THR . 38.9 mt -71.9 -42.66 69.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.703 -176.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -90.46 -0.7 57.76 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.885 -175.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 48.02 68.3 0.69 Allowed 'General case' 0 C--O 1.244 0.799 0 C-N-CA 125.926 1.69 . . . . 0.0 112.804 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -138.54 144.42 39.91 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 m -63.12 137.45 97.07 Favored Pre-proline 0 C--N 1.288 -2.099 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -45.42 -40.01 17.14 Favored 'Trans proline' 0 N--CA 1.486 1.051 0 C-N-CA 123.93 3.087 . . . . 0.0 114.565 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.1 m -61.64 -57.07 13.46 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.228 0.211 . . . . 0.0 110.795 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 14.6 p -66.95 -30.05 48.31 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 121.132 -0.227 . . . . 0.0 111.136 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.35 -50.19 74.52 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 176.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 m -63.32 -40.55 97.63 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.964 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -59.7 -44.44 93.67 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.211 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 15.1 mm-40 -55.92 -55.34 33.77 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.031 0.532 . . . . 0.0 110.537 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.54 -41.52 76.95 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.374 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.2 mt -68.09 -40.55 83.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.69 177.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.9 m -66.07 -31.74 72.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.537 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.426 ' HB2' HG23 ' A' ' 74' ' ' VAL . 26.9 m0 -79.44 -16.69 55.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.02 0.438 . . . . 0.0 110.112 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.14 23.23 61.65 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' A' ' 72' ' ' TRP . 57.2 t -93.24 -24.08 5.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.8 tp -124.79 155.61 39.1 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.001 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.21 150.13 47.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.6 -44.67 64.02 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -59.17 -19.63 46.76 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.196 1.399 . . . . 0.0 112.604 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.53 -25.03 15.12 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.891 0.877 . . . . 0.0 111.514 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -56.7 -20.88 24.07 Favored 'General case' 0 C--O 1.211 -0.947 0 C-N-CA 123.794 0.838 . . . . 0.0 111.813 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 81' ' ' ARG . 22.2 tpt180 -73.31 -21.02 60.67 Favored 'General case' 0 C--O 1.243 0.711 0 O-C-N 122.219 -0.301 . . . . 0.0 111.09 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.16 -26.33 67.37 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 120.898 0.38 . . . . 0.0 110.194 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.9 p -154.46 87.33 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 CA-C-O 122.442 1.115 . . . . 0.0 109.41 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.32 67.55 8.39 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.64 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.8 m 68.34 -74.31 0.08 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.463 1.505 . . . . 0.0 110.829 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 55.82 26.51 9.68 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.728 1.211 . . . . 0.0 112.663 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 88' ' ' GLU . 19.8 t70 -87.37 -88.2 0.14 Allowed 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 9.3 tp10 174.81 -73.07 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.367 0.667 . . . . 0.0 110.896 173.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.2 tp . . . . . 0 C--N 1.31 -1.115 0 CA-C-O 118.677 -0.678 . . . . 0.0 109.963 -175.612 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 CA--C 1.516 -0.363 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -71.63 136.62 83.24 Favored Pre-proline 0 N--CA 1.445 -0.711 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -45.22 -46.58 13.58 Favored 'Trans proline' 0 CA--C 1.564 2.024 0 C-N-CA 123.832 3.021 . . . . 0.0 115.428 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.35 119.07 6.08 Favored 'Trans proline' 0 C--N 1.387 2.601 0 C-N-CA 121.84 1.694 . . . . 0.0 111.444 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -55.27 116.65 3.3 Favored 'Trans proline' 0 C--O 1.248 0.98 0 C-N-CA 123.249 2.632 . . . . 0.0 113.082 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -97.14 115.67 27.95 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.1 mt -96.05 107.4 19.7 Favored 'General case' 0 C--N 1.29 -2.003 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.08 113.69 26.06 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 CA-C-O 121.476 0.655 . . . . 0.0 111.306 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 tp -94.98 111.56 23.34 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -78.15 114.65 17.23 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.9 mt -72.27 -37.76 68.98 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 123.249 0.62 . . . . 0.0 111.386 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -75.63 -42.58 51.2 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.185 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 17' ' ' VAL . 22.3 tpt180 -64.69 -40.2 94.96 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.539 HD21 ' HG ' ' A' ' 25' ' ' LEU . 52.8 tp -63.38 -30.63 71.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.071 0.462 . . . . 0.0 110.548 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.91 -19.25 61.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.242 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.6 p -95.21 -0.85 52.73 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.162 0.506 . . . . 0.0 110.827 176.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 13' ' ' ARG . 92.9 t -89.16 133.43 35.15 Favored Pre-proline 0 C--O 1.244 0.79 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -41.71 130.43 3.96 Favored 'Trans proline' 0 C--O 1.253 1.245 0 C-N-CA 124.174 3.25 . . . . 0.0 114.053 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.22 -17.97 64.07 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.037 0.935 . . . . 0.0 110.74 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -55.5 -34.24 64.43 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 124.407 1.083 . . . . 0.0 110.754 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -122.46 -33.91 3.36 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.988 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.25 -5.75 59.12 Favored 'General case' 0 C--O 1.221 -0.429 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -177.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.01 -62.55 6.16 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 119.766 -0.463 . . . . 0.0 113.808 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -61.89 -24.7 77.38 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 122.336 2.024 . . . . 0.0 112.012 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.539 ' HG ' HD21 ' A' ' 14' ' ' LEU . 29.3 tp -78.14 -35.56 48.85 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.725 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.417 HE21 ' HG ' ' A' ' 14' ' ' LEU . 53.5 mm-40 -62.4 -34.17 76.21 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 110.117 173.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -67.12 -48.83 66.93 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.769 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.495 ' CE1' HD11 ' A' ' 32' ' ' ILE . 45.6 t80 -57.87 -49.11 77.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.497 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.98 91.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.354 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.67 96.22 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.48 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.8 m -61.33 -39.28 89.97 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 123.58 0.55 . . . . 0.0 110.786 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.495 HD11 ' CE1' ' A' ' 28' ' ' TYR . 59.5 mt -66.51 -49.1 77.94 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.194 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -57.78 -33.88 68.99 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 p -70.86 -48.19 55.21 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.51 176.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -76.47 -18.21 58.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.114 0.483 . . . . 0.0 111.584 -178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -75.33 -27.28 59.18 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 177.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.46 -50.78 2.88 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.407 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.76 101.92 1.8 Allowed 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 123.878 0.871 . . . . 0.0 110.712 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -103.03 89.73 3.53 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.551 0.691 . . . . 0.0 109.754 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -82.23 -34.39 28.89 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.32 -23.54 26.9 Favored Glycine 0 N--CA 1.441 -1.031 0 CA-C-N 115.456 -0.793 . . . . 0.0 114.097 173.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HG3' HG13 ' A' ' 43' ' ' VAL . 27.9 tptp -92.17 -63.87 1.18 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 117.11 0.455 . . . . 0.0 112.034 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.448 HG13 ' HG3' ' A' ' 42' ' ' LYS . 27.2 m -122.94 145.7 29.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.3 tp -127.58 113.97 16.8 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 176.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.2 m -87.79 107.02 18.46 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.37 0.605 . . . . 0.0 111.019 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 36.3 pt -101.57 174.49 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -111.8 177.31 4.69 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 121.174 -0.21 . . . . 0.0 110.762 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -64.48 -31.53 72.78 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 121.096 0.474 . . . . 0.0 110.568 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.3 -40.18 81.3 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.978 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -73.13 -43.2 61.98 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.399 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.5 tp -55.7 -43.7 76.69 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.44 0.638 . . . . 0.0 109.553 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.408 ' O ' HG23 ' A' ' 56' ' ' VAL . 18.9 tpt180 -61.54 -39.05 89.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.247 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.566 ' O ' HG13 ' A' ' 57' ' ' ILE . 28.5 m -63.79 -49.03 74.5 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 123.671 0.607 . . . . 0.0 109.569 178.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mp -52.64 -47.26 67.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.337 0.655 . . . . 0.0 111.157 178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.98 -42.11 72.02 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.668 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 52' ' ' ARG . 63.0 t -72.88 -41.03 60.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.955 0.407 . . . . 0.0 110.144 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 53' ' ' THR . 47.6 mt -63.1 -50.84 77.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.745 -178.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -86.83 1.53 52.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.716 -172.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 t70 59.66 58.34 2.91 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 122.334 1.064 . . . . 0.0 110.84 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -139.99 143.46 36.49 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.153 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 m -64.28 141.89 98.22 Favored Pre-proline 0 C--N 1.299 -1.592 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -43.48 -47.53 9.19 Favored 'Trans proline' 0 C--N 1.365 1.425 0 C-N-CA 124.134 3.223 . . . . 0.0 114.235 -176.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.495 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 21.3 m -65.85 -44.45 85.44 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.989 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.88 -41.16 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.373 0.606 . . . . 0.0 109.829 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.75 -40.67 97.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.075 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 57.1 m -64.27 -42.46 96.44 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.29 -0.413 . . . . 0.0 109.975 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 63' ' ' SER . 48.2 mt-10 -59.86 -38.15 81.32 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 178.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.63 -56.29 23.85 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 123.485 0.714 . . . . 0.0 111.217 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.43 -36.55 76.1 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.352 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 76.4 mt -71.93 -34.79 52.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.4 t -68.05 -32.44 72.8 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 122.911 0.484 . . . . 0.0 110.497 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 14.7 m0 -87.29 -7.37 57.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.164 0.507 . . . . 0.0 110.05 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.68 27.68 68.75 Favored Glycine 0 CA--C 1.503 -0.699 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.218 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.6 t -93.58 -29.86 4.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.5 tp -111.57 155.51 23.21 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.437 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -67.49 140.01 57.04 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 123.673 0.789 . . . . 0.0 110.475 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.57 -33.4 74.0 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -77.71 -23.36 49.45 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 120.851 0.358 . . . . 0.0 111.264 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -25.47 23.18 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -14.77 62.35 Favored 'General case' 0 C--O 1.212 -0.893 0 C-N-CA 118.884 -1.126 . . . . 0.0 111.398 -178.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -69.97 -34.9 73.99 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.46 -36.18 63.32 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.487 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 63.6 t -67.98 -48.01 76.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.266 0.555 . . . . 0.0 110.011 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.499 ' HA ' ' CE1' ' A' ' 86' ' ' HIS . . . -84.13 37.91 0.63 Allowed 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 123.062 0.545 . . . . 0.0 111.092 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 87' ' ' ASP . 32.2 t -77.94 4.88 10.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.301 -178.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.499 ' CE1' ' HA ' ' A' ' 84' ' ' ALA . 4.6 p-80 -78.35 43.65 0.47 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 122.77 1.272 . . . . 0.0 109.42 174.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 85' ' ' SER . 11.3 t70 -123.85 92.55 3.7 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 -177.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -95.0 -26.74 15.96 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.296 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.294 -1.829 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -178.807 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 C--O 1.25 1.1 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 77.86 143.86 0.1 OUTLIER Pre-proline 0 C--O 1.242 0.688 0 C-N-CA 125.504 1.522 . . . . 0.0 110.716 -175.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.11 145.01 71.67 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 121.875 1.716 . . . . 0.0 109.938 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 51.7 Cg_exo -56.07 117.33 3.96 Favored 'Trans proline' 0 C--O 1.244 0.811 0 C-N-CA 122.826 2.351 . . . . 0.0 110.836 178.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.521 ' HB2' ' OE1' ' A' ' 48' ' ' GLN . 9.0 Cg_exo -68.9 115.03 3.76 Favored 'Trans proline' 0 N--CA 1.443 -1.462 0 C-N-CA 121.892 1.728 . . . . 0.0 112.331 -179.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -105.99 125.31 50.84 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.4 mt -99.69 118.81 37.0 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.63 113.08 25.4 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 CA-C-O 121.213 0.53 . . . . 0.0 110.196 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.6 tp -93.64 106.5 18.46 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 12.1 t70 -77.34 111.9 13.49 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.3 mt -77.22 -26.36 52.61 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 120.901 0.382 . . . . 0.0 111.041 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.64 -47.42 66.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.561 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 17' ' ' VAL . 25.9 mmt180 -70.86 -31.17 67.77 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 176.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 10' ' ' ASP . 1.5 tm? -64.42 -34.31 77.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . . . -68.8 -22.77 64.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.648 176.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 m -88.64 -3.76 58.71 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-O 121.659 0.742 . . . . 0.0 109.833 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 13' ' ' ARG . 73.6 t -92.36 133.3 30.11 Favored Pre-proline 0 C--N 1.318 -0.787 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -39.73 125.32 1.5 Allowed 'Trans proline' 0 C--O 1.254 1.293 0 C-N-CA 124.145 3.23 . . . . 0.0 113.838 177.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.17 -18.02 59.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.665 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -52.8 -36.11 57.86 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.729 0.811 . . . . 0.0 110.309 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -119.64 -25.53 5.93 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.573 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -102.66 -4.14 25.56 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -175.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.13 -62.25 6.41 Favored Glycine 0 N--CA 1.468 0.81 0 CA-C-O 119.842 -0.421 . . . . 0.0 112.76 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -58.59 -28.95 87.62 Favored 'Trans proline' 0 C--N 1.363 1.335 0 C-N-CA 122.796 2.331 . . . . 0.0 111.628 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.455 HD23 HD21 ' A' ' 14' ' ' LEU . 22.9 tp -66.16 -40.48 90.55 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.28 -178.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 15' ' ' ALA . 73.2 mt-30 -62.46 -36.5 82.67 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.134 174.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -73.13 -40.85 64.57 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.496 ' CD2' HD21 ' A' ' 54' ' ' LEU . 83.2 t80 -57.05 -49.89 74.44 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 174.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -56.24 -46.01 79.77 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.272 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.02 -38.64 89.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.186 0.517 . . . . 0.0 111.142 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.5 m -69.21 -43.1 74.78 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.443 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 28' ' ' TYR . 34.3 mm -58.89 -38.76 75.05 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 C-N-CA 123.477 0.711 . . . . 0.0 110.984 178.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 99.3 mt-30 -56.68 -49.77 74.11 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.872 177.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.7 m -66.15 -34.12 77.31 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.009 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -66.47 -35.84 81.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 mpt_? -82.97 -27.22 30.64 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.382 177.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.67 2.01 87.56 Favored Glycine 0 N--CA 1.467 0.718 0 CA-C-O 122.039 0.799 . . . . 0.0 111.138 -177.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -130.57 121.42 25.64 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 106.213 -1.773 . . . . 0.0 106.213 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -138.78 167.4 22.08 Favored 'General case' 0 N--CA 1.417 -2.098 0 C-N-CA 119.289 -0.964 . . . . 0.0 111.392 -176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -151.41 127.16 10.23 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 177.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.54 -2.93 90.05 Favored Glycine 0 C--N 1.298 -1.551 0 C-N-CA 120.136 -1.03 . . . . 0.0 113.327 -174.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -100.16 -48.09 4.74 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 120.784 0.326 . . . . 0.0 110.578 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.7 157.12 38.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.393 . . . . 0.0 110.975 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 tp -134.06 118.99 18.39 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 m -92.02 102.33 14.88 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.529 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.9 pt -101.59 168.76 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -112.48 177.06 4.76 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.741 177.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.599 ' NE2' ' H ' ' A' ' 48' ' ' GLN . 2.1 mp0 -64.03 -36.87 85.4 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 123.445 0.698 . . . . 0.0 110.072 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -65.61 -26.56 67.89 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.859 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -87.38 -39.61 15.14 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 tp -55.1 -33.53 62.89 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.451 1.1 . . . . 0.0 110.337 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 56' ' ' VAL . 67.6 mtp180 -60.6 -28.11 68.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.642 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.519 ' O ' HG13 ' A' ' 57' ' ' ILE . 20.5 m -67.97 -39.42 83.34 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.496 HD21 ' CD2' ' A' ' 28' ' ' TYR . 92.4 mt -61.83 -37.43 84.42 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.595 178.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.74 87.05 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.224 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 52' ' ' ARG . 43.9 t -72.26 -33.24 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.941 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 53' ' ' THR . 29.2 mt -69.31 -48.26 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.586 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -88.03 -1.76 58.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.385 -173.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 67.96 28.07 6.96 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.818 1.247 . . . . 0.0 110.529 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -114.06 165.25 12.82 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.113 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.3 t -90.79 144.58 30.52 Favored Pre-proline 0 C--N 1.305 -1.346 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_exo -46.72 -29.84 8.36 Favored 'Trans proline' 0 C--N 1.366 1.478 0 C-N-CA 124.257 3.304 . . . . 0.0 114.175 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.463 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 4.8 p -60.15 -57.39 13.01 Favored 'General case' 0 C--O 1.246 0.896 0 C-N-CA 122.46 0.304 . . . . 0.0 111.15 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 13.9 p -75.21 -26.06 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.272 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -44.29 96.79 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 m -64.83 -39.02 92.91 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.051 0.453 . . . . 0.0 109.84 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 63' ' ' SER . 50.3 mt-10 -61.99 -35.81 79.63 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.456 -179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 64' ' ' VAL . 30.2 mm-40 -51.78 -61.06 2.49 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.766 0.827 . . . . 0.0 110.924 178.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.24 -35.76 74.25 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.905 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.4 mt -67.75 -49.22 71.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.218 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.4 p -64.69 -32.15 73.69 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -76.86 -16.81 59.31 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.233 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.54 34.35 11.98 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.605 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -108.71 -39.34 4.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.6 tp -113.3 151.92 30.53 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.634 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -77.72 148.34 34.95 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.32 80.38 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 123.599 0.76 . . . . 0.0 112.788 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.7 -23.33 66.05 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -175.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.89 -24.79 39.33 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.474 0.709 . . . . 0.0 111.749 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -53.48 -25.17 15.28 Favored 'General case' 0 C--O 1.209 -1.029 0 C-N-CA 124.041 0.937 . . . . 0.0 111.352 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -53.9 -33.93 58.03 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.224 1.41 . . . . 0.0 111.167 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.0 -28.93 70.14 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.305 -0.861 . . . . 0.0 113.307 -174.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.8 p -139.25 26.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-O 122.151 0.976 . . . . 0.0 108.672 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.16 121.89 9.8 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.065 -1.425 . . . . 0.0 114.249 -173.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 55.3 m -146.0 141.18 27.43 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 172.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.3 t60 67.8 99.46 0.05 Allowed 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.092 0.957 . . . . 0.0 111.67 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -92.61 158.86 15.74 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.61 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.98 112.76 6.61 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 123.108 0.255 . . . . 0.0 111.654 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--O 1.241 0.616 0 C-N-CA 124.545 1.138 . . . . 0.0 111.078 179.612 . . . . . . . . 0 0 . 1 stop_ save_