data_2cvr_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 2cvr _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.1 p -129.48 164.22 24.19 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 81.8 t -124.78 125.04 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -78.07 147.61 34.65 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.731 -1.187 . . . . 0.0 108.882 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -160.91 76.75 0.56 Allowed 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.707 -1.197 . . . . 0.0 109.134 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 20.1 ptpt -77.76 128.01 33.34 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.769 -1.173 . . . . 0.0 109.199 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -77.24 -57.25 3.94 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.67 -1.212 . . . . 0.0 108.784 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -136.62 -98.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.05 20.09 44.37 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.073 -1.061 . . . . 0.0 110.825 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -130.22 111.05 12.04 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.56 138.71 51.16 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 118.735 -1.186 . . . . 0.0 109.435 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -135.19 152.65 51.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -130.87 144.15 51.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.66 135.36 63.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -84.82 146.36 27.38 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.718 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mp -78.35 -29.63 15.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.415 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.3 m -82.09 -21.53 36.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.893 -175.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -85.37 -15.8 41.96 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.815 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.5 mt -78.5 96.32 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -85.15 -54.74 4.43 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.42 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 1.165 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 75.7 mmtt -71.19 125.66 27.51 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.837 -1.145 . . . . 0.0 108.776 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -160.16 132.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.788 -1.165 . . . . 0.0 108.65 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -153.13 130.73 11.49 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.201 -0.999 . . . . 0.0 108.815 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -81.71 128.04 33.56 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.926 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.9 p -160.36 131.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 118.896 -1.121 . . . . 0.0 108.485 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.45 -164.27 52.67 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 118.657 -1.735 . . . . 0.0 110.003 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -50.32 10.55 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.481 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.49 ' HG2' ' HG ' ' A' ' 46' ' ' SER . 64.7 mtt -77.45 124.37 27.8 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.708 -1.197 . . . . 0.0 109.193 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.8 mm -78.12 116.79 22.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 118.927 -1.109 . . . . 0.0 108.129 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.0 m -80.25 158.65 26.14 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.936 -1.106 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -161.72 167.6 24.74 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 118.798 -1.161 . . . . 0.0 108.977 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 1.165 ' OG1' ' HB2' ' A' ' 21' ' ' LYS . 44.7 p -129.11 92.68 3.43 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -76.46 128.95 35.8 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 118.861 -1.136 . . . . 0.0 109.112 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -80.21 123.01 27.55 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.403 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -162.27 81.0 0.53 Allowed 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.712 -1.195 . . . . 0.0 108.554 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.19 -33.49 0.38 Allowed Glycine 0 CA--C 1.52 0.406 0 C-N-CA 118.7 -1.714 . . . . 0.0 109.945 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.5 30.7 48.3 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 118.715 -1.707 . . . . 0.0 109.869 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.31 -36.5 0.4 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.76 -1.686 . . . . 0.0 109.825 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.43 -49.28 13.76 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.141 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.7 m 59.23 96.78 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.976 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.612 ' C ' ' HG3' ' A' ' 42' ' ' ARG . . . -70.01 174.96 36.0 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 118.738 -1.696 . . . . 0.0 110.126 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.612 ' HG3' ' C ' ' A' ' 41' ' ' GLY . 79.7 mtp180 -159.39 143.98 15.34 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.319 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.92 -150.15 5.81 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 118.828 -1.653 . . . . 0.0 109.788 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.81 175.21 11.5 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.63 -1.228 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.1 p -159.76 132.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 118.78 -1.168 . . . . 0.0 108.524 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.49 ' HG ' ' HG2' ' A' ' 28' ' ' MET . 49.7 m -70.25 164.03 25.19 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.425 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -102.55 37.2 1.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.375 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -79.41 -30.58 42.46 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.214 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.41 74.18 0.61 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.866 -1.134 . . . . 0.0 108.989 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.4 162.12 67.41 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -61.82 166.87 11.24 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 CA-C-N 122.47 1.918 . . . . 0.0 112.609 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -81.61 -25.75 35.45 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.874 -1.13 . . . . 0.0 109.983 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -82.58 -22.82 34.71 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.103 -1.039 . . . . 0.0 110.108 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 tt -77.3 -32.51 55.44 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.933 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.597 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 91.5 mt -77.09 -31.57 56.02 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.734 -1.187 . . . . 0.0 109.504 -177.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -80.76 -26.96 36.92 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.642 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.6 tpp -71.28 -53.65 13.55 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.627 -1.229 . . . . 0.0 109.306 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.1 mt -75.82 -52.32 10.64 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 118.605 -1.238 . . . . 0.0 108.871 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.597 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 52.0 mt-10 . . . . . 0 C--N 1.322 -0.628 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.467 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 121.674 0.75 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.9 p -122.97 162.59 22.02 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.121 -1.031 . . . . 0.0 108.936 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.0 t -104.36 120.86 55.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.032 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.499 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 23.9 tptp -70.56 141.51 51.83 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.501 -1.279 . . . . 0.0 109.149 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -156.32 97.74 1.79 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.528 -1.269 . . . . 0.0 109.668 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -80.01 132.28 35.97 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.111 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.74 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 53.1 t80 -91.81 -87.88 0.2 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.721 -1.192 . . . . 0.0 108.565 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.74 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 14.3 mmmm -115.04 -70.7 0.78 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.147 -1.021 . . . . 0.0 108.459 176.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.14 35.77 2.31 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 119.157 -1.497 . . . . 0.0 109.534 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -145.0 142.4 29.77 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.481 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.74 144.77 28.3 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.67 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.4 tp -152.08 100.45 2.63 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 118.597 -1.241 . . . . 0.0 108.846 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -91.45 110.63 21.94 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.79 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 m -88.02 176.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 118.939 -1.104 . . . . 0.0 108.636 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -121.06 152.06 39.09 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.454 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.76 -36.57 59.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 119.198 -1.001 . . . . 0.0 109.296 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.3 t -86.69 2.37 48.79 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.766 -1.174 . . . . 0.0 111.015 -173.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 24.3 ttmm -102.16 3.5 38.51 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.76 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.7 mt -89.18 123.67 41.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.965 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.585 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 87.1 tttt -116.5 148.07 41.16 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.958 -1.097 . . . . 0.0 108.859 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.972 ' HG3' ' HZ3' ' A' ' 23' ' ' TRP . 4.0 tppp? 67.25 93.25 0.07 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 118.569 -1.252 . . . . 0.0 108.717 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.82 138.87 52.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.023 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.972 ' HZ3' ' HG3' ' A' ' 21' ' ' LYS . 44.2 p90 -153.09 127.68 9.38 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.71 -1.196 . . . . 0.0 109.125 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -97.24 127.37 43.14 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.129 -1.029 . . . . 0.0 109.872 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.3 p -163.5 131.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 118.969 -1.093 . . . . 0.0 108.498 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.68 -145.87 18.16 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 118.757 -1.687 . . . . 0.0 110.016 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -94.41 -69.01 0.77 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.955 -1.098 . . . . 0.0 108.589 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.0 mtp -72.31 176.39 5.32 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.671 -1.212 . . . . 0.0 109.15 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -116.55 130.31 71.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 119.127 -1.029 . . . . 0.0 108.552 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.9 m -100.68 158.77 15.71 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.3 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -166.0 170.2 13.85 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.845 -1.142 . . . . 0.0 109.482 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.449 ' OG1' ' HB3' ' A' ' 21' ' ' LYS . 69.4 p -124.64 87.96 2.81 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.233 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -68.36 134.72 50.69 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.519 -1.273 . . . . 0.0 108.065 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -82.77 122.03 27.66 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 118.382 -1.327 . . . . 0.0 110.107 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -163.64 67.3 0.18 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.04 -52.43 0.08 OUTLIER Glycine 0 CA--C 1.521 0.409 0 C-N-CA 118.546 -1.787 . . . . 0.0 110.377 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.16 -52.75 1.07 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 119.023 -1.561 . . . . 0.0 109.392 -176.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.652 ' O ' ' HB3' ' A' ' 39' ' ' LYS . . . -129.09 41.44 1.55 Allowed Glycine 0 C--N 1.319 -0.374 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.652 ' HB3' ' O ' ' A' ' 38' ' ' GLY . 14.0 ptmm? 168.18 63.25 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 118.993 -1.083 . . . . 0.0 109.011 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.3 p -63.48 167.42 5.54 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.061 -1.056 . . . . 0.0 109.42 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.57 135.99 12.81 Favored Glycine 0 N--CA 1.461 0.352 0 C-N-CA 118.867 -1.635 . . . . 0.0 110.113 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -96.95 139.97 32.18 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 118.979 -1.088 . . . . 0.0 108.768 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.13 -171.02 15.89 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 118.879 -1.629 . . . . 0.0 109.795 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.17 160.52 24.25 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.622 -1.231 . . . . 0.0 109.562 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 p -155.83 136.09 4.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 118.911 -1.116 . . . . 0.0 108.282 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.7 m -66.78 152.54 45.34 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 118.751 -1.18 . . . . 0.0 109.382 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -97.78 43.69 1.06 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.003 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -83.62 -22.75 32.12 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 118.802 -1.159 . . . . 0.0 108.937 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -160.3 57.14 0.35 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.833 -1.147 . . . . 0.0 108.599 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.82 153.58 55.1 Favored Pre-proline 0 C--N 1.321 -0.668 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.786 -178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -52.92 158.43 6.49 Favored 'Trans proline' 0 C--N 1.327 -0.595 0 C-N-CA 121.527 1.485 . . . . 0.0 112.007 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -79.66 -16.98 54.74 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.827 -1.149 . . . . 0.0 110.361 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -64.91 -34.26 77.97 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.275 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.04 -34.12 66.12 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.568 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.602 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 83.5 mt -75.61 -32.72 60.4 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.165 -1.414 . . . . 0.0 109.493 -176.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -81.07 -18.82 45.3 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 118.392 -1.323 . . . . 0.0 110.187 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -76.82 -32.5 57.64 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 118.504 -1.278 . . . . 0.0 109.068 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -108.46 21.57 17.13 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 118.206 -1.398 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.602 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 46.5 mt-10 . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 121.781 0.801 . . . . 0.0 109.181 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.545 ' HG1' ' NE2' ' A' ' 13' ' ' GLN . 7.0 t -163.51 160.2 22.92 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.648 -1.221 . . . . 0.0 109.583 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -158.04 130.49 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 119.002 -1.079 . . . . 0.0 108.346 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -91.17 103.93 16.55 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.723 -1.191 . . . . 0.0 109.231 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -82.66 85.18 7.06 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.898 -1.121 . . . . 0.0 108.385 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.6 143.94 53.14 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.781 -1.168 . . . . 0.0 110.08 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -140.45 151.18 44.66 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 175.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -67.1 -25.45 66.22 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.645 -1.222 . . . . 0.0 110.311 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.03 -39.49 23.6 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 118.702 -1.713 . . . . 0.0 110.722 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -167.49 134.13 2.21 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.438 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.7 144.51 50.98 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.719 -1.192 . . . . 0.0 109.123 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -133.46 169.96 16.19 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.802 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.545 ' NE2' ' HG1' ' A' ' 2' ' ' THR . 6.3 tm0? -144.49 100.18 3.49 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.78 133.79 42.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.524 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -87.48 151.25 23.19 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.794 -1.162 . . . . 0.0 109.179 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.9 mm -79.94 -23.3 11.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.478 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -89.55 3.22 53.19 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.831 -1.147 . . . . 0.0 110.905 -175.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -113.11 15.69 19.43 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 118.911 -1.115 . . . . 0.0 109.423 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.8 mt -120.59 114.94 45.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 118.924 -1.111 . . . . 0.0 108.622 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -76.8 -76.89 0.15 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 118.634 -1.226 . . . . 0.0 108.001 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.609 ' HA ' HG22 ' A' ' 22' ' ' VAL . 59.4 mtmt -109.82 135.77 50.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 176.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 21' ' ' LYS 0.39 1.9 m 56.61 95.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 123.762 2.983 . . . . 0.0 114.462 7.272 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.6 p90 -163.29 131.88 3.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.399 -1.273 . . . . 0.0 107.607 171.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.24 133.26 34.09 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.641 -1.224 . . . . 0.0 109.841 -171.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.66 -19.58 3.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.62 -130.32 1.21 Allowed Glycine 0 C--N 1.317 -0.474 0 C-N-CA 118.929 -1.605 . . . . 0.0 110.169 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -90.76 -32.03 16.29 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.658 -1.217 . . . . 0.0 110.686 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.6 mtt -87.98 133.72 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 118.613 -1.235 . . . . 0.0 108.369 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.46 119.78 35.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 118.61 -1.236 . . . . 0.0 108.733 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 t -90.55 153.55 20.27 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.88 -1.128 . . . . 0.0 108.461 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.449 ' HA ' ' H ' ' A' ' 22' ' ' VAL . 42.9 p90 -161.81 149.24 14.46 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.209 -1.396 . . . . 0.0 109.64 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.412 HG21 ' HG2' ' A' ' 42' ' ' ARG . 71.0 p -123.74 104.17 8.82 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -89.22 160.8 16.77 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.921 -1.111 . . . . 0.0 108.519 177.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -95.08 121.0 36.26 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.678 -1.209 . . . . 0.0 110.331 -175.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -166.19 84.2 0.3 Allowed 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.216 -0.994 . . . . 0.0 108.551 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.02 -45.11 0.18 Allowed Glycine 0 CA--C 1.52 0.384 0 C-N-CA 118.376 -1.869 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.68 45.39 76.49 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 108.458 -1.857 . . . . 0.0 108.458 -174.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.72 -30.21 2.51 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -174.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -123.4 75.29 1.31 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.9 m -65.1 134.61 54.16 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.211 -0.996 . . . . 0.0 109.427 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.94 156.02 43.42 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 118.713 -1.708 . . . . 0.0 110.114 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.412 ' HG2' HG21 ' A' ' 32' ' ' THR . 84.1 mtm180 -150.23 140.41 22.16 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.095 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.76 -157.73 9.05 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 118.741 -1.695 . . . . 0.0 109.996 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.76 174.06 13.74 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.365 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.9 p -156.67 134.83 2.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.294 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.3 p -67.62 148.62 51.15 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.731 -1.187 . . . . 0.0 109.819 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -83.67 -15.8 47.48 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.577 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.34 -31.81 71.47 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.883 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -128.71 65.01 1.43 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.963 -1.095 . . . . 0.0 109.346 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.18 150.99 52.52 Favored Pre-proline 0 C--N 1.321 -0.642 0 C-N-CA 118.934 -1.107 . . . . 0.0 108.71 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.26 143.11 54.3 Favored 'Trans proline' 0 C--N 1.328 -0.549 0 C-N-CA 121.528 1.485 . . . . 0.0 111.532 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -81.27 -20.31 41.16 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.369 -175.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.5 -19.14 61.0 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.779 -1.168 . . . . 0.0 110.346 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 54' ' ' LEU . 5.4 tt -86.29 -30.04 22.6 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.104 -1.038 . . . . 0.0 108.268 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.14 -13.79 56.67 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.767 -1.173 . . . . 0.0 110.696 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -78.34 -21.48 49.47 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.586 -1.246 . . . . 0.0 109.569 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.5 tpp -73.9 -25.84 60.22 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.631 -1.227 . . . . 0.0 108.876 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.916 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 87.4 mt -132.95 87.1 2.37 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.916 ' CG ' ' HA ' ' A' ' 58' ' ' LEU . 43.4 mt-10 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 120.349 -1.47 . . . . 0.0 107.709 -1.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 121.716 0.77 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.9 p -127.91 132.73 49.27 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.713 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.9 t -93.33 120.13 42.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 118.836 -1.146 . . . . 0.0 108.528 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -79.78 92.56 5.46 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.728 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -85.87 78.32 9.53 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.472 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -73.16 148.64 43.65 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.911 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -151.24 152.05 32.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -67.01 -27.72 67.65 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.869 -1.132 . . . . 0.0 110.228 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.632 ' O ' ' HB2' ' A' ' 10' ' ' GLU . . . -74.09 -29.14 63.07 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 118.824 -1.655 . . . . 0.0 110.655 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.632 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 42.1 tt0 174.61 136.33 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.433 -1.307 . . . . 0.0 109.471 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -76.81 133.95 39.23 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 118.877 -1.129 . . . . 0.0 108.9 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.34 146.98 51.81 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.612 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -120.4 101.06 7.53 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.089 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.26 177.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.841 -1.144 . . . . 0.0 109.004 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -125.87 147.55 49.43 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.087 -1.045 . . . . 0.0 108.841 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.9 pp -82.39 -13.89 12.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 118.924 -1.11 . . . . 0.0 110.004 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.5 t -93.88 -6.02 46.65 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.646 -1.222 . . . . 0.0 110.213 -176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -103.54 11.93 35.67 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.849 -1.14 . . . . 0.0 109.628 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.9 mt -94.01 98.94 8.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 118.811 -1.156 . . . . 0.0 108.623 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -91.24 -74.99 0.48 Allowed 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.447 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.567 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 8.6 mtpm? -74.28 141.41 45.3 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.551 -178.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -159.63 137.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 118.815 -1.154 . . . . 0.0 108.733 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 38.4 p90 -152.37 134.93 15.3 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.273 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.01 145.81 24.39 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.629 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.1 t -118.01 -21.5 4.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.108 -1.037 . . . . 0.0 108.897 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.84 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . 131.71 111.08 1.33 Allowed Glycine 0 C--N 1.318 -0.444 0 C-N-CA 119.12 -1.514 . . . . 0.0 110.342 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.84 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 3.9 tmtp? 102.86 -50.05 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.856 -1.138 . . . . 0.0 108.772 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 60.5 mtt -132.34 172.07 12.92 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.077 -1.049 . . . . 0.0 108.883 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mm -114.23 115.12 48.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.69 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.4 t -80.64 154.61 27.28 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 118.757 -1.177 . . . . 0.0 109.02 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -162.36 158.8 24.52 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.562 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -123.04 88.37 2.92 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.192 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -76.46 135.48 39.39 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 118.594 -1.242 . . . . 0.0 108.259 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -84.17 122.05 28.31 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.527 -1.269 . . . . 0.0 109.865 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -164.37 78.58 0.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.416 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.16 -44.04 0.07 OUTLIER Glycine 0 CA--C 1.519 0.313 0 C-N-CA 118.586 -1.768 . . . . 0.0 110.311 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.33 39.98 80.89 Favored Glycine 0 C--N 1.319 -0.367 0 C-N-CA 118.654 -1.736 . . . . 0.0 109.482 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.92 -17.41 1.21 Allowed Glycine 0 CA--C 1.52 0.368 0 N-CA-C 108.824 -1.71 . . . . 0.0 108.824 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.566 ' HB3' ' HZ3' ' A' ' 39' ' ' LYS . 8.1 ttpm? -153.68 77.6 1.11 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.093 -1.043 . . . . 0.0 108.323 178.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.4 t -64.56 160.57 19.25 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.701 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.69 133.91 11.89 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 118.998 -1.573 . . . . 0.0 110.398 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -105.0 143.02 33.76 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.808 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.78 -169.74 19.74 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 118.657 -1.735 . . . . 0.0 110.009 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.09 160.67 33.35 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.314 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 p -161.05 136.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.844 -1.142 . . . . 0.0 108.422 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.1 p -67.18 149.88 49.88 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.699 -1.2 . . . . 0.0 109.25 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.88 21.58 11.35 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.071 -1.051 . . . . 0.0 109.948 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -80.42 -24.16 39.83 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.394 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -141.79 67.38 1.33 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.965 -1.094 . . . . 0.0 108.771 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -110.36 157.11 39.05 Favored Pre-proline 0 C--N 1.322 -0.63 0 C-N-CA 119.203 -0.999 . . . . 0.0 108.429 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -51.01 159.68 2.38 Favored 'Trans proline' 0 C--N 1.328 -0.525 0 C-N-CA 121.518 1.478 . . . . 0.0 112.106 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -69.14 -28.16 66.2 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.008 -1.077 . . . . 0.0 111.124 -174.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -62.13 -38.62 89.65 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.016 -1.074 . . . . 0.0 110.544 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -79.82 -23.37 42.1 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.592 -1.243 . . . . 0.0 110.044 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.81 -28.0 50.2 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.578 -1.249 . . . . 0.0 109.718 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -82.76 -12.85 57.21 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.763 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.2 tpp -81.33 -24.43 37.14 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.095 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.4 mt -120.83 47.5 1.8 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.932 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 C--N 1.321 -0.669 0 C-N-CA 118.904 -1.119 . . . . 0.0 108.48 178.821 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 121.677 0.751 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.0 p -127.34 168.63 14.54 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.223 -0.991 . . . . 0.0 108.661 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.72 129.81 18.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.762 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.765 ' HG2' ' H ' ' A' ' 5' ' ' PHE . 39.4 ttmt -82.38 175.32 10.34 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.755 -1.178 . . . . 0.0 110.271 -176.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.765 ' H ' ' HG2' ' A' ' 4' ' ' LYS . 53.2 t80 -164.63 86.03 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.838 -1.145 . . . . 0.0 108.932 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -77.92 130.68 36.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.632 -1.227 . . . . 0.0 109.591 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.505 ' CD2' ' HG3' ' A' ' 8' ' ' LYS . 40.0 t80 -85.39 -80.86 0.21 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 118.872 -1.131 . . . . 0.0 108.325 177.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' HG3' ' CD2' ' A' ' 7' ' ' TYR . 28.7 mtpp -114.95 -69.44 0.86 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.014 -1.074 . . . . 0.0 108.796 174.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.98 29.68 3.88 Favored Glycine 0 N--CA 1.462 0.38 0 C-N-CA 119.1 -1.524 . . . . 0.0 109.847 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -127.79 -171.73 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.161 -1.016 . . . . 0.0 108.922 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -149.26 135.97 19.54 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.443 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.8 mt -137.01 122.24 19.25 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -92.55 162.7 14.09 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.944 -1.103 . . . . 0.0 109.469 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -157.91 132.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 118.903 -1.119 . . . . 0.0 108.757 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -92.0 153.61 19.33 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.832 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mp -65.9 -31.45 53.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 119.455 -0.898 . . . . 0.0 108.983 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 m -72.63 -25.43 61.29 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 118.841 -1.144 . . . . 0.0 111.193 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -82.8 -18.74 39.46 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 118.43 -1.308 . . . . 0.0 110.465 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.9 mt -70.32 108.7 2.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 C-N-CA 118.349 -1.34 . . . . 0.0 108.187 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -93.88 -89.17 0.22 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.903 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -68.66 144.32 54.5 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.855 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.5 135.78 6.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 118.928 -1.109 . . . . 0.0 108.71 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -144.39 169.1 18.58 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.857 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -145.79 85.47 1.7 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.626 -1.229 . . . . 0.0 110.071 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -127.8 82.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 174.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.66 -146.23 12.19 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 118.615 -1.755 . . . . 0.0 110.027 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HD2' ' HG3' ' A' ' 28' ' ' MET . 12.9 tmtt? -89.91 -68.42 0.78 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.468 -178.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.508 ' HG2' ' HG ' ' A' ' 46' ' ' SER . 59.8 mtt -90.03 165.33 14.09 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.061 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.0 mt -90.34 125.52 43.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 118.927 -1.109 . . . . 0.0 108.867 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.7 t -95.06 162.53 13.68 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.045 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -161.88 170.79 18.82 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.979 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.4 p -125.05 98.83 5.84 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.951 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -79.85 146.26 32.31 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 118.823 -1.151 . . . . 0.0 108.063 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -100.46 90.3 4.25 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.721 -1.192 . . . . 0.0 110.107 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -133.65 81.86 1.95 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.249 -0.981 . . . . 0.0 108.567 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.88 -42.79 0.03 OUTLIER Glycine 0 C--N 1.319 -0.374 0 C-N-CA 118.495 -1.812 . . . . 0.0 110.427 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.68 40.62 90.19 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 118.589 -1.767 . . . . 0.0 108.958 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 137.37 -5.95 3.57 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 -175.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -148.48 76.9 1.38 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.103 -1.039 . . . . 0.0 108.52 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.4 m -64.54 129.73 40.98 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.275 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.13 145.64 17.78 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 118.831 -1.652 . . . . 0.0 110.291 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -113.02 143.02 45.02 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.99 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.41 -167.84 14.82 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 118.812 -1.661 . . . . 0.0 109.786 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.56 164.45 31.99 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 118.601 -1.24 . . . . 0.0 109.431 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.6 p -161.63 136.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.29 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.508 ' HG ' ' HG2' ' A' ' 28' ' ' MET . 48.9 m -67.77 151.94 46.4 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.392 -178.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -98.57 15.91 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.056 -1.057 . . . . 0.0 110.395 -176.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.627 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 4.4 ttmp? -95.18 3.79 54.29 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.698 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -159.28 47.34 0.3 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.046 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.06 156.29 42.09 Favored Pre-proline 0 C--N 1.321 -0.643 0 C-N-CA 119.072 -1.051 . . . . 0.0 108.577 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.22 157.55 4.29 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 121.619 1.546 . . . . 0.0 112.028 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -81.83 -10.72 59.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 118.914 -1.115 . . . . 0.0 110.99 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.7 -35.56 81.11 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.657 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -78.93 -25.79 43.68 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.636 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -79.65 -24.13 42.05 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.641 -1.224 . . . . 0.0 109.986 -177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -79.02 -17.72 54.84 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.774 -1.17 . . . . 0.0 109.714 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.0 ttt -66.15 -40.55 90.64 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.894 -1.122 . . . . 0.0 109.849 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.3 mt -99.28 -22.74 15.46 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.17 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 C--N 1.321 -0.665 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.192 -179.689 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 121.895 0.855 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.3 t -158.04 156.4 31.02 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.129 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.7 t -122.21 127.45 75.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.103 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -76.57 94.07 3.68 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.725 -1.19 . . . . 0.0 108.911 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -98.21 82.84 2.99 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.889 -175.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.571 ' HZ3' ' HB3' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -79.05 -172.13 2.96 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.651 -1.22 . . . . 0.0 108.715 176.669 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.541 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 51.6 t80 -143.94 -89.44 0.12 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.699 -1.201 . . . . 0.0 109.021 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.541 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 7.0 mmpt? -103.42 -76.68 0.58 Allowed 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.698 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.53 30.42 4.03 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 119.199 -1.477 . . . . 0.0 109.553 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -123.68 -175.13 3.14 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.91 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -147.53 132.82 18.46 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.871 -1.132 . . . . 0.0 108.998 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.39 174.44 9.86 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.104 -1.038 . . . . 0.0 108.216 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -151.34 94.31 2.01 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.285 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -74.61 178.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.885 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -133.9 161.47 34.67 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.748 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.0 tp -80.18 -17.35 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 118.952 -1.099 . . . . 0.0 111.078 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -95.42 -20.33 19.17 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.542 -1.263 . . . . 0.0 111.423 -171.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.671 ' HD3' ' HB3' ' A' ' 34' ' ' ASP . 24.6 ttmm -93.33 -2.14 55.2 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.52 -1.272 . . . . 0.0 110.742 -173.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.6 mt -71.69 118.39 16.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 118.305 -1.358 . . . . 0.0 108.294 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -92.88 -102.95 0.12 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.874 -1.131 . . . . 0.0 110.017 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HB2' ' HZ2' ' A' ' 21' ' ' LYS . 10.4 mtmp? -74.62 144.17 44.02 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.781 -1.168 . . . . 0.0 110.262 -174.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -150.91 136.89 12.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.7 p90 -143.52 167.95 21.0 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.839 -1.144 . . . . 0.0 109.733 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.762 ' HG2' ' CD1' ' A' ' 29' ' ' ILE . 4.4 tmt_? -138.85 120.69 15.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -159.01 35.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.825 1.298 . . . . 0.0 108.303 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.08 -143.96 4.32 Favored Glycine 0 C--N 1.319 -0.395 0 C-N-CA 118.739 -1.696 . . . . 0.0 110.124 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -84.07 -73.91 0.4 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 118.921 -1.111 . . . . 0.0 109.339 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.9 mtt -82.82 155.39 24.21 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.728 -1.189 . . . . 0.0 109.355 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.762 ' CD1' ' HG2' ' A' ' 24' ' ' ARG . 49.6 mm -89.96 127.21 42.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.044 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.6 t -94.25 161.85 14.09 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.36 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -162.77 162.76 26.82 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.996 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.7 p -123.4 91.05 3.39 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.94 -1.104 . . . . 0.0 109.269 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -76.71 144.81 39.08 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.763 -1.175 . . . . 0.0 108.41 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.671 ' HB3' ' HD3' ' A' ' 18' ' ' LYS . 34.3 t70 -82.21 137.49 34.89 Favored 'General case' 0 C--N 1.319 -0.717 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.616 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -164.1 89.08 0.54 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.131 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.94 -37.02 2.23 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 118.935 -1.602 . . . . 0.0 110.185 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.09 48.47 19.89 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 118.617 -1.754 . . . . 0.0 109.725 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.72 -15.39 0.15 Allowed Glycine 0 CA--C 1.52 0.362 0 C-N-CA 118.773 -1.679 . . . . 0.0 109.769 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -115.44 -39.72 3.53 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.171 -1.011 . . . . 0.0 108.867 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 m 57.79 98.38 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.075 0.941 . . . . 0.0 110.343 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.78 152.71 49.36 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 118.671 -1.728 . . . . 0.0 110.048 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -133.79 122.78 23.77 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.113 -1.035 . . . . 0.0 109.219 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.89 -161.67 9.52 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 119.046 -1.55 . . . . 0.0 109.514 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.84 167.22 23.1 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 118.573 -1.251 . . . . 0.0 109.538 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 p -160.25 135.66 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.302 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -66.61 145.71 55.3 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.681 -1.208 . . . . 0.0 108.925 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -100.98 36.36 1.98 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.938 -1.105 . . . . 0.0 109.254 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -82.6 -23.37 34.41 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.896 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -151.03 61.31 0.91 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.975 -1.09 . . . . 0.0 108.458 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 154.53 64.59 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 118.877 -1.129 . . . . 0.0 108.551 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.92 147.03 10.86 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 C-N-CA 121.503 1.469 . . . . 0.0 111.333 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -74.93 -23.88 58.4 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.59 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.28 -31.2 70.49 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.234 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 54' ' ' LEU . 2.6 tt -77.03 -29.68 55.41 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.736 -1.185 . . . . 0.0 108.51 -178.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.2 -30.74 63.73 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.661 -1.216 . . . . 0.0 110.099 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -86.09 -5.29 59.24 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.669 -1.212 . . . . 0.0 110.055 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 ttt -91.39 -27.85 18.06 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.844 -1.143 . . . . 0.0 110.139 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.97 24.51 8.25 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.522 -1.271 . . . . 0.0 110.299 -174.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 . . . . . 0 C--N 1.322 -0.619 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.124 177.737 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.515 0 CA-C-O 121.661 0.743 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.2 p -129.64 138.08 51.02 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.815 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.8 t -89.4 125.57 42.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 118.787 -1.165 . . . . 0.0 108.335 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -115.04 94.75 4.88 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.066 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -91.36 135.54 33.75 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.017 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -107.43 -173.93 2.41 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.146 -1.022 . . . . 0.0 109.403 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -144.92 -81.28 0.16 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.967 -1.093 . . . . 0.0 109.076 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.537 ' HZ1' ' HB2' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -111.61 -78.08 0.59 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.962 178.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.09 24.92 5.0 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 119.042 -1.551 . . . . 0.0 110.093 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -127.43 177.68 6.58 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.45 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 134.91 13.72 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.694 -1.203 . . . . 0.0 109.592 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 mp -118.85 168.05 11.13 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.38 133.78 26.41 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.993 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -128.15 146.16 34.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.214 -0.995 . . . . 0.0 109.296 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.418 ' HB3' ' CB ' ' A' ' 18' ' ' LYS . 23.7 t0 -87.11 145.33 26.48 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.026 -1.069 . . . . 0.0 109.045 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -72.27 -34.98 51.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.653 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -85.23 -4.97 59.34 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.685 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 24.4 ttmm -93.86 0.83 56.4 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.976 -1.09 . . . . 0.0 110.152 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.1 mt -82.22 127.4 39.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 C-N-CA 118.679 -1.209 . . . . 0.0 108.886 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -125.81 154.28 42.84 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.895 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.453 ' HE2' ' HG1' ' A' ' 32' ' ' THR . 37.9 mtmm 57.27 93.32 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.803 0.811 . . . . 0.0 110.379 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.23 148.1 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.009 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.0 p90 -151.92 146.67 25.81 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.738 -1.185 . . . . 0.0 109.018 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HG2' HD11 ' A' ' 29' ' ' ILE . 84.7 mtm180 -114.21 121.21 43.02 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.076 -1.049 . . . . 0.0 110.14 -175.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 m -130.36 -172.6 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 175.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.851 ' O ' ' HB2' ' A' ' 27' ' ' LYS . . . -79.32 88.64 1.2 Allowed Glycine 0 CA--C 1.521 0.419 0 C-N-CA 118.724 -1.703 . . . . 0.0 110.334 -179.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.851 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 62.0 tttm 154.0 73.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.539 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.8 mmt 60.08 -177.29 0.1 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.914 0.864 . . . . 0.0 110.405 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.404 HD11 ' HG2' ' A' ' 24' ' ' ARG . 48.2 mm -107.11 121.05 59.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.615 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.5 p -101.86 159.96 14.89 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.147 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -165.24 168.95 16.51 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 118.734 -1.187 . . . . 0.0 109.484 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 68.4 p -126.4 89.64 3.04 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.134 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -69.6 143.84 53.18 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 118.528 -1.269 . . . . 0.0 108.587 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -86.86 138.25 31.73 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.559 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -165.51 76.46 0.25 Allowed 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 119.08 -1.048 . . . . 0.0 108.472 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 153.3 -35.33 0.76 Allowed Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.803 -1.665 . . . . 0.0 109.898 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.94 -14.96 57.17 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 118.985 -1.578 . . . . 0.0 110.019 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.13 37.61 0.26 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.78 -1.676 . . . . 0.0 110.024 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -147.06 -40.06 0.19 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.3 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.0 p 53.0 -168.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.111 0.958 . . . . 0.0 110.731 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.522 ' O ' ' HA ' ' A' ' 32' ' ' THR . . . -157.93 135.18 4.2 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.787 -1.673 . . . . 0.0 109.951 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -97.75 146.62 25.2 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.998 -1.081 . . . . 0.0 109.197 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.6 -173.73 30.61 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 118.794 -1.67 . . . . 0.0 109.755 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.42 153.7 17.89 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 118.606 -1.238 . . . . 0.0 109.47 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 p -161.91 136.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 C-N-CA 118.821 -1.152 . . . . 0.0 108.416 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.9 p -65.5 150.45 48.36 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.486 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -89.85 -1.83 58.07 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.133 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -76.29 -28.58 57.05 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.741 -1.183 . . . . 0.0 109.314 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.53 47.46 0.88 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.715 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.36 154.69 43.61 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.91 166.64 29.45 Favored 'Trans proline' 0 C--N 1.326 -0.612 0 C-N-CA 121.235 1.29 . . . . 0.0 109.737 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -27.25 61.19 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.936 -1.106 . . . . 0.0 110.377 -174.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -68.43 -32.77 73.05 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 118.738 -1.185 . . . . 0.0 110.423 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 54' ' ' LEU . 4.1 tt -78.8 -33.33 46.29 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 118.548 -1.261 . . . . 0.0 108.587 -177.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -81.27 -24.29 37.39 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.611 -1.236 . . . . 0.0 110.277 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -97.22 23.13 7.74 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.769 -1.172 . . . . 0.0 109.419 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.4 tpp -116.79 -24.12 7.83 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.084 -1.046 . . . . 0.0 109.187 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -127.3 -26.71 3.03 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.669 -1.212 . . . . 0.0 111.278 -176.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 C--N 1.321 -0.632 0 C-N-CA 118.459 -1.296 . . . . 0.0 110.875 -173.372 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.572 0 CA-C-O 121.726 0.774 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.8 p -126.95 151.92 47.86 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.754 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.8 t -120.68 128.36 76.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.38 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -90.59 113.39 25.39 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.335 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -98.75 102.14 13.78 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.106 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.656 ' HG2' ' H ' ' A' ' 8' ' ' LYS . 41.0 ttmt -88.48 141.76 28.27 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.963 -1.095 . . . . 0.0 109.666 -178.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 1.269 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 68.3 t80 -127.03 18.64 7.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.247 1.022 . . . . 0.0 108.521 178.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 1.269 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 25.5 pttm 60.86 26.88 16.72 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.708 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.55 -50.7 0.02 OUTLIER Glycine 0 CA--C 1.521 0.46 0 C-N-CA 119.103 -1.522 . . . . 0.0 109.689 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -148.83 136.4 20.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.232 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.36 101.95 10.14 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.691 -1.204 . . . . 0.0 109.372 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.5 109.83 20.97 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.171 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -82.89 105.67 14.09 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 118.882 -1.127 . . . . 0.0 108.663 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.4 m -81.91 175.41 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 118.783 -1.167 . . . . 0.0 108.996 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.858 ' OD2' ' HG3' ' A' ' 18' ' ' LYS . 24.7 t0 -116.3 143.32 45.68 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.111 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.7 tt -81.09 -16.77 12.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.001 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.0 m -98.34 0.76 46.12 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.095 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.858 ' HG3' ' OD2' ' A' ' 15' ' ' ASP . 29.3 mtpp -105.81 8.02 32.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.797 -1.161 . . . . 0.0 109.736 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.9 mt -91.44 82.89 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.946 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.728 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -88.4 138.1 31.74 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.604 177.239 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.728 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 49.7 mmtm 73.47 116.52 0.05 Allowed 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.581 -1.248 . . . . 0.0 108.832 -178.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.31 137.93 33.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 119.044 -1.062 . . . . 0.0 108.552 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 43.1 p90 -149.46 131.16 15.0 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.813 -1.155 . . . . 0.0 108.906 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -106.01 139.72 40.11 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.402 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -163.72 132.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 118.98 -1.088 . . . . 0.0 108.561 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.6 -130.72 10.45 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.841 -1.647 . . . . 0.0 109.786 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HD2' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -136.16 18.59 3.19 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.788 -1.165 . . . . 0.0 111.684 -178.37 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.762 ' HG3' ' HA ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -135.95 156.36 48.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 163.67 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.2 mt -91.12 124.8 43.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 118.776 -1.17 . . . . 0.0 109.032 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -105.53 157.01 17.68 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.111 -1.035 . . . . 0.0 108.972 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -164.9 -177.01 4.46 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.238 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.2 t -142.64 121.76 12.94 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.639 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -92.86 -173.27 3.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -149.15 122.09 8.78 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.417 -1.313 . . . . 0.0 110.083 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.1 29.32 3.73 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.126 176.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.5 -85.94 0.06 OUTLIER Glycine 0 CA--C 1.521 0.418 0 C-N-CA 118.787 -1.673 . . . . 0.0 110.257 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.09 -66.45 0.06 OUTLIER Glycine 0 CA--C 1.52 0.368 0 C-N-CA 118.788 -1.673 . . . . 0.0 109.863 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.61 -14.94 64.6 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 118.922 -1.609 . . . . 0.0 109.472 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 40' ' ' THR . 41.3 ttmt -150.78 103.02 3.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 28.5 m 63.26 74.7 0.42 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 123.432 2.833 . . . . 0.0 111.817 4.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.49 -172.17 38.05 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 119.04 -1.552 . . . . 0.0 110.037 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.09 93.15 2.8 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.137 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.57 -173.39 36.69 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 118.895 -1.621 . . . . 0.0 109.842 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.18 169.47 24.08 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.733 -1.187 . . . . 0.0 109.123 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 p -162.05 136.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.493 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.762 ' HA ' ' HG3' ' A' ' 28' ' ' MET . 47.0 t -67.58 152.38 45.73 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.504 -178.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.15 10.63 37.09 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.093 -1.043 . . . . 0.0 110.005 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -81.33 -27.47 34.94 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.384 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -134.71 35.0 3.15 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.324 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.88 154.32 64.39 Favored Pre-proline 0 C--N 1.321 -0.65 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.454 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.31 143.09 35.09 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 121.45 1.433 . . . . 0.0 111.694 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.76 -26.94 50.17 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.778 -1.169 . . . . 0.0 110.427 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -76.32 -14.57 60.1 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.739 -1.184 . . . . 0.0 110.778 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.404 ' O ' HD21 ' A' ' 54' ' ' LEU . 4.8 tt -83.64 -33.86 25.17 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.499 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.61 -34.05 58.38 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.68 -1.208 . . . . 0.0 110.447 -174.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -84.05 -10.44 57.85 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.598 -1.241 . . . . 0.0 110.224 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.5 tpp -84.53 -22.42 30.16 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.744 -1.182 . . . . 0.0 109.373 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.8 mt -120.93 37.54 4.29 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.801 -1.159 . . . . 0.0 109.785 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.318 -0.767 0 C-N-CA 118.44 -1.304 . . . . 0.0 109.093 174.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 121.601 0.715 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.1 p -127.21 152.01 47.95 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.183 -1.007 . . . . 0.0 108.856 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.8 t -106.94 127.97 62.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 119.121 -1.032 . . . . 0.0 108.526 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -93.5 157.48 16.18 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.286 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -163.04 80.54 0.47 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.929 -1.108 . . . . 0.0 108.637 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 20.2 ptpt -73.77 132.92 43.12 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.702 -177.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.409 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 46.2 t80 -77.27 -88.34 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.169 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 49.1 mmtm -106.63 -73.98 0.67 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 119.154 -1.018 . . . . 0.0 108.34 173.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.47 20.37 7.42 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.033 -1.556 . . . . 0.0 109.906 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -120.46 130.67 54.41 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.114 -1.035 . . . . 0.0 108.476 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -81.87 156.08 25.01 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.088 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -153.06 121.78 6.43 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.866 -1.134 . . . . 0.0 108.639 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -107.68 167.66 9.8 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.523 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.6 p -160.74 132.47 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.603 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -73.41 145.91 45.47 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 118.623 -1.231 . . . . 0.0 108.755 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.21 -32.49 38.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 118.92 -1.112 . . . . 0.0 110.228 -174.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -84.65 -6.44 59.36 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.716 -1.194 . . . . 0.0 110.558 -175.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 40.9 ttpt -89.66 -15.31 32.93 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.019 -1.072 . . . . 0.0 109.369 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.2 mt -68.14 106.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 118.958 -1.097 . . . . 0.0 108.866 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.635 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 61.9 mttp -102.14 147.42 26.64 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.105 -1.038 . . . . 0.0 109.177 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 76.0 mmtt 69.99 92.24 0.09 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.707 -1.197 . . . . 0.0 109.084 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.4 m -124.61 141.61 44.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 119.007 -1.077 . . . . 0.0 109.012 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 41.8 p90 -155.37 132.09 10.57 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.898 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -107.85 121.6 45.09 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.908 -1.117 . . . . 0.0 109.55 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 m -136.98 141.92 39.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.488 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 27' ' ' LYS . . . 81.21 -87.4 1.37 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.767 -1.682 . . . . 0.0 110.275 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 55.8 mtmt -155.96 -63.58 0.11 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.257 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.632 ' HG3' ' HG ' ' A' ' 46' ' ' SER . 2.1 mpt? -67.77 159.76 29.57 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.802 -1.159 . . . . 0.0 108.762 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -103.61 117.96 49.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 118.998 -1.081 . . . . 0.0 108.511 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.2 m -94.92 156.37 16.37 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.01 -1.076 . . . . 0.0 108.705 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -165.47 174.55 9.87 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.515 -1.274 . . . . 0.0 109.864 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.1 p -124.67 151.34 45.07 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -142.29 143.18 32.69 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.849 -1.14 . . . . 0.0 109.537 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -86.08 145.62 26.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.042 -1.063 . . . . 0.0 108.496 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.646 ' H ' ' CA ' ' A' ' 36' ' ' GLY . 13.1 pt-20 -137.3 -22.35 1.15 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -177.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.646 ' CA ' ' H ' ' A' ' 35' ' ' GLU . . . -174.71 -107.45 0.21 Allowed Glycine 0 N--CA 1.462 0.423 0 CA-C-N 123.596 2.907 . . . . 0.0 108.586 -0.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.88 -71.85 2.36 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 118.921 -1.609 . . . . 0.0 110.522 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.12 51.43 0.34 Allowed Glycine 0 C--N 1.319 -0.405 0 C-N-CA 118.826 -1.654 . . . . 0.0 109.916 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -134.23 -38.78 0.85 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.121 -1.032 . . . . 0.0 108.686 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.9 m 55.2 86.14 0.06 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.134 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.95 172.3 37.16 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.724 -1.703 . . . . 0.0 110.211 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -155.27 144.49 20.97 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.986 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.52 -155.82 8.6 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 118.672 -1.728 . . . . 0.0 109.867 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.55 167.75 20.95 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 118.694 -1.203 . . . . 0.0 109.42 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 p -157.44 132.22 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 118.814 -1.154 . . . . 0.0 108.378 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.632 ' HG ' ' HG3' ' A' ' 28' ' ' MET . 51.6 m -71.5 152.63 42.85 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 118.644 -1.222 . . . . 0.0 109.286 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.37 -12.79 59.91 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.556 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -70.13 -32.28 70.21 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.703 -1.199 . . . . 0.0 109.768 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -124.12 56.85 1.24 Allowed 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.242 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -118.97 153.69 52.83 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.531 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.37 147.82 27.83 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.517 1.478 . . . . 0.0 111.665 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -78.48 -26.23 45.97 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 118.751 -1.18 . . . . 0.0 110.355 -174.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -74.77 -20.07 59.95 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.729 -1.188 . . . . 0.0 110.169 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.415 HD22 ' O ' ' A' ' 54' ' ' LEU . 4.2 tt -77.02 -31.57 56.43 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.058 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.07 -31.79 68.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.836 -1.146 . . . . 0.0 109.651 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -77.61 -21.26 52.59 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.746 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.9 ttt -72.95 -29.68 63.28 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.672 -1.211 . . . . 0.0 108.861 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.959 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . 94.8 mt -132.39 84.01 2.12 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 175.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.959 ' HB3' ' HA ' ' A' ' 58' ' ' LEU . 12.5 pt-20 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 120.75 -1.219 . . . . 0.0 109.12 1.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 121.762 0.791 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t -159.56 159.05 32.84 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.34 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.0 t -126.78 128.81 71.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.394 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 58.7 pttt -121.15 113.9 20.67 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.621 177.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -99.77 129.2 45.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.881 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 132.64 42.92 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.787 -1.165 . . . . 0.0 109.579 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -167.16 97.7 0.51 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.904 -1.118 . . . . 0.0 108.607 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.959 ' HB2' ' CA ' ' A' ' 9' ' ' GLY . 75.9 mmtt -68.82 -66.2 0.6 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 119.539 -1.975 . . . . 0.0 110.691 0.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.959 ' CA ' ' HB2' ' A' ' 8' ' ' LYS . . . 150.51 -61.09 0.42 Allowed Glycine 0 N--CA 1.463 0.467 0 N-CA-C 107.418 -2.273 . . . . 0.0 107.418 -8.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -137.45 138.1 39.43 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 173.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -69.41 134.78 49.42 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.62 -1.232 . . . . 0.0 109.301 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -142.48 91.48 2.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 4' ' ' LYS . 26.3 tt0 -99.92 130.85 46.14 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.826 -176.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.94 138.68 52.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.15 159.04 27.11 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.12 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.6 pt -90.01 -3.07 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.17 -1.012 . . . . 0.0 110.79 -175.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.0 p -88.15 -10.01 51.32 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.441 -175.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -93.4 -1.44 55.82 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.886 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.4 mt -78.43 129.58 37.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 118.556 -1.258 . . . . 0.0 107.732 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.739 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 25.3 pttm -147.53 -0.93 0.63 Allowed 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 118.538 -1.265 . . . . 0.0 110.056 -177.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.923 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 2.8 mmmp? -132.11 100.42 5.04 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.828 -1.149 . . . . 0.0 109.071 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.48 144.15 37.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.246 -0.982 . . . . 0.0 108.931 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -149.73 138.7 21.1 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.954 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -93.96 118.42 31.46 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.885 -171.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -163.21 130.44 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 118.999 -1.08 . . . . 0.0 108.484 173.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.11 -168.64 32.68 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 118.76 -1.686 . . . . 0.0 110.328 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.732 ' HG3' ' HG3' ' A' ' 28' ' ' MET . 21.9 ptmt -86.67 -13.34 45.79 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.996 -1.082 . . . . 0.0 110.639 -177.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.732 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 63.1 mtt -122.4 161.65 23.08 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 118.758 -1.177 . . . . 0.0 109.395 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mm -101.44 131.5 49.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 119.079 -1.049 . . . . 0.0 108.992 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -101.41 164.73 11.62 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.988 -1.085 . . . . 0.0 108.99 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -164.74 166.56 19.79 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.662 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.923 ' OG1' ' HB2' ' A' ' 21' ' ' LYS . 73.9 p -124.81 86.44 2.56 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.177 -178.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -69.94 144.84 52.28 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 118.44 -1.304 . . . . 0.0 108.07 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.436 ' HB2' ' HZ3' ' A' ' 20' ' ' LYS . 28.4 t70 -91.06 118.93 30.8 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.486 -1.286 . . . . 0.0 110.504 -174.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -164.87 77.13 0.31 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.489 ' HA3' ' HD2' ' A' ' 39' ' ' LYS . . . -179.75 -46.43 0.08 OUTLIER Glycine 0 CA--C 1.52 0.354 0 C-N-CA 118.594 -1.765 . . . . 0.0 110.425 -177.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.55 38.6 57.51 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 118.641 -1.742 . . . . 0.0 109.477 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.7 -15.13 0.71 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.489 ' HD2' ' HA3' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -157.71 71.64 0.63 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.019 -1.073 . . . . 0.0 109.026 179.063 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.4 p -59.83 161.28 6.58 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.782 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.09 167.51 23.94 Favored Glycine 0 C--N 1.32 -0.327 0 C-N-CA 118.891 -1.623 . . . . 0.0 110.201 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -131.22 141.48 50.04 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.143 -1.023 . . . . 0.0 108.946 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.39 177.99 21.24 Favored Glycine 0 N--CA 1.461 0.355 0 C-N-CA 118.92 -1.609 . . . . 0.0 109.771 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.03 143.17 13.84 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.187 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.3 p -161.5 136.24 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 118.772 -1.171 . . . . 0.0 108.226 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.6 t -67.04 157.07 34.42 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.693 -1.203 . . . . 0.0 109.643 -177.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -91.81 12.14 22.44 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.152 -1.019 . . . . 0.0 110.083 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -75.21 -26.6 59.09 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.649 -1.22 . . . . 0.0 109.478 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -134.89 71.33 1.44 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.031 -1.067 . . . . 0.0 108.874 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.7 153.96 76.17 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.254 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -56.76 156.28 23.76 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.306 1.337 . . . . 0.0 111.985 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -26.64 60.04 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.119 -1.032 . . . . 0.0 110.211 -175.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.42 -34.54 78.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.423 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.46 -34.71 65.51 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.264 -1.375 . . . . 0.0 108.968 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.53 -32.97 54.37 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.733 -175.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -80.8 -18.39 47.7 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 118.769 -1.172 . . . . 0.0 109.76 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.4 tpp -80.19 -30.9 38.78 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.705 -1.198 . . . . 0.0 110.071 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.9 mt -106.86 -29.34 9.55 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.605 -1.238 . . . . 0.0 110.894 -173.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 C--N 1.321 -0.662 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.691 -177.503 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 121.755 0.788 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -162.52 164.63 26.83 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.691 -1.204 . . . . 0.0 109.103 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.3 t -122.85 102.08 10.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 119.074 -1.05 . . . . 0.0 108.755 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.71 168.94 6.98 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.179 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -159.76 80.73 0.72 Allowed 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.667 -1.213 . . . . 0.0 109.48 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 14.8 ptmm? -76.83 158.28 30.93 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.728 -1.189 . . . . 0.0 108.911 178.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -101.8 -96.7 0.28 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.875 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 -34.2 7.18 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 118.404 -1.318 . . . . 0.0 109.592 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.73 31.86 0.75 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 118.82 -1.657 . . . . 0.0 109.961 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 45.2 mt-10 -128.9 -176.13 3.76 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.109 -1.036 . . . . 0.0 108.826 -179.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -141.94 131.05 23.28 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.994 -1.083 . . . . 0.0 108.766 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.19 167.27 18.67 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.05 -1.06 . . . . 0.0 108.368 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -152.76 131.65 12.49 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.808 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -139.57 132.7 36.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.97 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.11 159.45 18.9 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.917 -1.113 . . . . 0.0 108.253 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.24 -29.05 41.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.241 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.5 p -80.76 -4.43 54.51 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.833 -1.147 . . . . 0.0 110.81 -177.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -98.81 12.77 34.66 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.448 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mt -120.17 137.01 55.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.31 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -124.69 -44.09 1.98 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.878 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' HA ' ' HB ' ' A' ' 22' ' ' VAL . 31.6 tttt -137.49 116.59 12.52 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 -178.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.576 ' H ' ' HA ' ' A' ' 31' ' ' PHE 0.259 58.2 t 68.38 82.44 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 124.283 3.219 . . . . 0.0 112.336 3.119 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.4 p90 -164.27 131.12 3.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 113.627 -1.624 . . . . 0.0 106.872 168.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.514 ' HG3' ' HA ' ' A' ' 29' ' ' ILE . 4.1 mmp_? -148.14 176.14 10.46 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.522 -1.271 . . . . 0.0 110.75 -177.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -163.58 24.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.43 -113.82 0.36 Allowed Glycine 0 CA--C 1.519 0.329 0 C-N-CA 118.578 -1.773 . . . . 0.0 111.514 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 1.037 ' HG2' ' HG3' ' A' ' 28' ' ' MET . 24.2 ttmm -95.12 147.54 23.33 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.083 -170.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 1.037 ' HG3' ' HG2' ' A' ' 27' ' ' LYS . 84.1 mtp 62.22 -177.35 0.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.784 172.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.514 ' HA ' ' HG3' ' A' ' 24' ' ' ARG . 4.2 mp -128.08 121.01 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.408 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.0 m -93.68 142.11 27.72 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.3 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.576 ' HA ' ' H ' ' A' ' 22' ' ' VAL . 55.1 p90 -158.04 148.84 20.79 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.355 -1.338 . . . . 0.0 110.095 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.829 HG22 ' HG3' ' A' ' 42' ' ' ARG . 70.5 p -126.6 95.9 4.5 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.21 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -73.33 170.38 15.16 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.74 -1.184 . . . . 0.0 108.631 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -137.03 122.77 19.9 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.717 -1.193 . . . . 0.0 109.591 -178.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -159.76 77.52 0.68 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 118.626 -1.23 . . . . 0.0 109.816 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.05 123.27 0.86 Allowed Glycine 0 N--CA 1.463 0.481 0 O-C-N 120.083 -1.636 . . . . 0.0 109.725 0.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.22 67.46 0.9 Allowed Glycine 0 CA--C 1.52 0.361 0 C-N-CA 118.985 -1.579 . . . . 0.0 110.33 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.3 -20.06 33.4 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 119.033 -1.556 . . . . 0.0 110.594 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -82.03 -81.64 0.14 Allowed 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.589 -1.244 . . . . 0.0 109.221 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 m 57.1 91.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.804 0.812 . . . . 0.0 110.482 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.49 139.07 14.75 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 118.847 -1.644 . . . . 0.0 110.169 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.829 ' HG3' HG22 ' A' ' 32' ' ' THR . 0.5 OUTLIER -90.22 150.38 22.0 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.033 -1.067 . . . . 0.0 108.392 179.347 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.46 172.72 36.92 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 118.793 -1.67 . . . . 0.0 110.019 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.22 164.57 27.65 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.73 -1.188 . . . . 0.0 109.212 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.4 p -162.93 135.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 118.8 -1.16 . . . . 0.0 108.364 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -71.96 160.3 32.76 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 118.646 -1.222 . . . . 0.0 109.634 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.07 24.58 5.47 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.173 -1.011 . . . . 0.0 110.776 -177.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -93.85 -4.04 50.79 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.578 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -163.77 53.82 0.16 Allowed 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 118.835 -1.146 . . . . 0.0 108.481 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.75 152.17 40.74 Favored Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.002 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.54 151.87 22.92 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.458 1.438 . . . . 0.0 111.602 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -81.73 -13.53 57.69 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.844 -1.142 . . . . 0.0 109.78 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.23 -33.0 74.95 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.577 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.56 -34.23 62.88 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.512 -1.275 . . . . 0.0 108.958 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.7 mt -77.56 -30.04 52.46 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 118.486 -1.286 . . . . 0.0 109.84 -176.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -83.83 -17.35 41.28 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 118.639 -1.225 . . . . 0.0 109.845 -177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 tpt -97.02 -25.04 15.51 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.689 -1.204 . . . . 0.0 110.606 -174.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.5 mt -126.1 21.76 7.38 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 118.328 -1.349 . . . . 0.0 111.244 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 . . . . . 0 C--N 1.321 -0.661 0 C-N-CA 118.65 -1.22 . . . . 0.0 108.527 174.697 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 121.654 0.74 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.0 p -129.97 134.23 47.31 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.587 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t -81.92 121.75 35.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.299 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.573 ' HB3' ' HZ1' ' A' ' 4' ' ' LYS . 9.3 mtpm? -106.51 81.55 1.61 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.255 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -84.38 134.11 34.49 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 118.899 -1.12 . . . . 0.0 108.954 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.615 ' HZ3' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -126.39 175.75 7.63 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.442 -178.85 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -137.04 -80.01 0.39 Allowed 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.464 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.587 ' HB2' ' HZ2' ' A' ' 8' ' ' LYS . 4.5 ttmp? -110.92 -76.13 0.61 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.489 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.97 37.03 2.06 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 119.059 -1.543 . . . . 0.0 109.971 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -147.29 109.56 4.54 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.81 -1.156 . . . . 0.0 109.08 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.22 149.46 23.84 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.056 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -133.99 148.29 51.1 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.413 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -116.27 156.92 25.77 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.31 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -159.69 133.16 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 118.749 -1.181 . . . . 0.0 108.799 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.873 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 7.5 m-20 -87.74 154.63 20.41 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.21 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.61 -42.15 94.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.479 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -88.8 4.89 46.06 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 118.777 -1.169 . . . . 0.0 110.465 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.873 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 6.2 tmtt? -91.34 -19.32 23.06 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.002 -1.079 . . . . 0.0 108.538 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.6 mt -69.48 128.51 33.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 118.884 -1.126 . . . . 0.0 108.707 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.741 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 59.2 mtpt -123.6 137.7 54.69 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 118.884 -1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.741 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 28.6 mtpp 76.21 132.8 0.05 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.24 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -162.52 137.6 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 118.686 -1.206 . . . . 0.0 108.734 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -144.76 130.58 19.17 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.824 -1.15 . . . . 0.0 108.989 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -95.63 127.21 41.47 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.024 -1.071 . . . . 0.0 110.135 -175.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.6 p -164.3 130.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.49 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.9 -154.48 29.3 Favored Glycine 0 C--N 1.319 -0.373 0 C-N-CA 118.746 -1.692 . . . . 0.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -83.15 -77.24 0.25 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.908 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.459 ' N ' ' SD ' ' A' ' 28' ' ' MET . 2.1 mpt? -69.68 141.82 53.5 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.201 -175.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.3 mm -87.71 131.43 35.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 118.947 -1.101 . . . . 0.0 108.849 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 m -97.05 164.55 12.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.711 -178.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -166.68 173.3 9.77 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.095 -1.042 . . . . 0.0 108.625 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.3 p -127.75 95.07 4.11 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.869 -1.132 . . . . 0.0 109.407 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -78.32 131.79 37.17 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.236 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -92.25 124.09 36.07 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.772 -1.171 . . . . 0.0 110.796 -173.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -137.71 -59.07 0.67 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 122.107 0.956 . . . . 0.0 108.55 175.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.13 -42.74 94.27 Favored Glycine 0 C--N 1.317 -0.507 0 C-N-CA 119.195 -1.479 . . . . 0.0 110.609 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.89 -68.49 2.0 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 118.862 -1.637 . . . . 0.0 109.02 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.73 -25.97 43.98 Favored Glycine 0 C--N 1.32 -0.36 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 174.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -117.57 64.31 0.74 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.296 -0.962 . . . . 0.0 108.551 176.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.6 m -59.68 132.36 53.72 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.677 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.51 137.95 14.19 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 118.809 -1.663 . . . . 0.0 110.324 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -110.14 144.51 38.67 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.01 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.73 -171.96 20.06 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 118.813 -1.66 . . . . 0.0 109.983 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.89 159.04 23.29 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.525 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -161.44 140.83 2.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 118.859 -1.136 . . . . 0.0 108.356 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -62.9 147.18 51.05 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.503 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -97.72 9.05 43.57 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.111 -1.036 . . . . 0.0 110.073 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -80.78 -26.27 37.34 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.656 -1.218 . . . . 0.0 109.64 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -128.54 30.7 5.11 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.56 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.43 157.55 58.55 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 118.821 -1.151 . . . . 0.0 108.32 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -49.79 155.13 4.22 Favored 'Trans proline' 0 C--N 1.329 -0.478 0 C-N-CA 121.52 1.48 . . . . 0.0 112.182 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -79.22 -16.97 55.7 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.862 -1.135 . . . . 0.0 110.675 -174.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.92 -32.17 72.45 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 118.891 -1.123 . . . . 0.0 109.998 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.5 mt -75.51 -28.71 59.25 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.666 -1.214 . . . . 0.0 109.609 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.24 -35.46 68.84 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.301 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -85.15 -14.16 47.87 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.853 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.5 tpp -83.75 -17.75 40.13 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.137 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.996 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 82.9 mt -131.77 89.66 2.73 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.996 ' CG ' ' HA ' ' A' ' 58' ' ' LEU . 46.6 mt-10 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 120.123 -1.611 . . . . 0.0 107.784 -0.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.1 p -129.48 164.22 24.19 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 81.8 t -124.78 125.04 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -78.07 147.61 34.65 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.731 -1.187 . . . . 0.0 108.882 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -160.91 76.75 0.56 Allowed 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.707 -1.197 . . . . 0.0 109.134 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 20.1 ptpt -77.76 128.01 33.34 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.769 -1.173 . . . . 0.0 109.199 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -77.24 -57.25 3.94 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.67 -1.212 . . . . 0.0 108.784 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -136.62 -98.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.05 20.09 44.37 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.073 -1.061 . . . . 0.0 110.825 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -130.22 111.05 12.04 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.56 138.71 51.16 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 118.735 -1.186 . . . . 0.0 109.435 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -135.19 152.65 51.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -130.87 144.15 51.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.66 135.36 63.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -84.82 146.36 27.38 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.718 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mp -78.35 -29.63 15.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.415 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.3 m -82.09 -21.53 36.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.893 -175.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -85.37 -15.8 41.96 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.815 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.5 mt -78.5 96.32 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -85.15 -54.74 4.43 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.42 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 1.165 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 75.7 mmtt -71.19 125.66 27.51 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.837 -1.145 . . . . 0.0 108.776 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -160.16 132.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.788 -1.165 . . . . 0.0 108.65 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -153.13 130.73 11.49 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.201 -0.999 . . . . 0.0 108.815 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -81.71 128.04 33.56 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.926 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.9 p -160.36 131.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 118.896 -1.121 . . . . 0.0 108.485 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.45 -164.27 52.67 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 118.657 -1.735 . . . . 0.0 110.003 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -50.32 10.55 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.481 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.49 ' HG2' ' HG ' ' A' ' 46' ' ' SER . 64.7 mtt -77.45 124.37 27.8 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.708 -1.197 . . . . 0.0 109.193 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.8 mm -78.12 116.79 22.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 118.927 -1.109 . . . . 0.0 108.129 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.0 m -80.25 158.65 26.14 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.936 -1.106 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -161.72 167.6 24.74 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 118.798 -1.161 . . . . 0.0 108.977 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 1.165 ' OG1' ' HB2' ' A' ' 21' ' ' LYS . 44.7 p -129.11 92.68 3.43 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -76.46 128.95 35.8 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 118.861 -1.136 . . . . 0.0 109.112 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -80.21 123.01 27.55 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.403 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -162.27 81.0 0.53 Allowed 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.712 -1.195 . . . . 0.0 108.554 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.19 -33.49 0.38 Allowed Glycine 0 CA--C 1.52 0.406 0 C-N-CA 118.7 -1.714 . . . . 0.0 109.945 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.5 30.7 48.3 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 118.715 -1.707 . . . . 0.0 109.869 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.31 -36.5 0.4 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.76 -1.686 . . . . 0.0 109.825 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.43 -49.28 13.76 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.141 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.7 m 59.23 96.78 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.976 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.612 ' C ' ' HG3' ' A' ' 42' ' ' ARG . . . -70.01 174.96 36.0 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 118.738 -1.696 . . . . 0.0 110.126 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.612 ' HG3' ' C ' ' A' ' 41' ' ' GLY . 79.7 mtp180 -159.39 143.98 15.34 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.319 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.92 -150.15 5.81 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 118.828 -1.653 . . . . 0.0 109.788 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.81 175.21 11.5 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.63 -1.228 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.1 p -159.76 132.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 118.78 -1.168 . . . . 0.0 108.524 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.49 ' HG ' ' HG2' ' A' ' 28' ' ' MET . 49.7 m -70.25 164.03 25.19 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.425 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -102.55 37.2 1.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.375 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -79.41 -30.58 42.46 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.214 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.41 74.18 0.61 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.866 -1.134 . . . . 0.0 108.989 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.4 162.12 67.41 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -61.82 166.87 11.24 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 CA-C-N 122.47 1.918 . . . . 0.0 112.609 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -81.61 -25.75 35.45 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.874 -1.13 . . . . 0.0 109.983 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -82.58 -22.82 34.71 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.103 -1.039 . . . . 0.0 110.108 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 tt -77.3 -32.51 55.44 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.933 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.597 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 91.5 mt -77.09 -31.57 56.02 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.734 -1.187 . . . . 0.0 109.504 -177.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -80.76 -26.96 36.92 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.642 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.6 tpp -71.28 -53.65 13.55 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.627 -1.229 . . . . 0.0 109.306 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.1 mt -75.82 -52.32 10.64 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 118.605 -1.238 . . . . 0.0 108.871 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.597 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 52.0 mt-10 -85.71 80.51 8.96 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.467 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -81.81 92.29 6.65 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.032 -1.067 . . . . 0.0 108.773 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -77.61 -59.51 2.75 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 118.649 -1.221 . . . . 0.0 108.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? . . . . . 0 C--O 1.25 1.088 0 C-N-CA 118.723 -1.191 . . . . 0.0 108.533 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 121.674 0.75 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.9 p -122.97 162.59 22.02 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.121 -1.031 . . . . 0.0 108.936 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.0 t -104.36 120.86 55.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.032 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 23.9 tptp -70.56 141.51 51.83 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.501 -1.279 . . . . 0.0 109.149 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -156.32 97.74 1.79 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.528 -1.269 . . . . 0.0 109.668 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -80.01 132.28 35.97 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.111 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.74 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 53.1 t80 -91.81 -87.88 0.2 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.721 -1.192 . . . . 0.0 108.565 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.74 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 14.3 mmmm -115.04 -70.7 0.78 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.147 -1.021 . . . . 0.0 108.459 176.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.14 35.77 2.31 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 119.157 -1.497 . . . . 0.0 109.534 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -145.0 142.4 29.77 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.481 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.74 144.77 28.3 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.67 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.4 tp -152.08 100.45 2.63 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 118.597 -1.241 . . . . 0.0 108.846 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -91.45 110.63 21.94 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.79 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 m -88.02 176.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 118.939 -1.104 . . . . 0.0 108.636 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -121.06 152.06 39.09 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.454 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.76 -36.57 59.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 119.198 -1.001 . . . . 0.0 109.296 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.3 t -86.69 2.37 48.79 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.766 -1.174 . . . . 0.0 111.015 -173.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 24.3 ttmm -102.16 3.5 38.51 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.76 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.7 mt -89.18 123.67 41.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.965 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.585 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 87.1 tttt -116.5 148.07 41.16 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.958 -1.097 . . . . 0.0 108.859 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.972 ' HG3' ' HZ3' ' A' ' 23' ' ' TRP . 4.0 tppp? 67.25 93.25 0.07 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 118.569 -1.252 . . . . 0.0 108.717 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.82 138.87 52.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.023 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.972 ' HZ3' ' HG3' ' A' ' 21' ' ' LYS . 44.2 p90 -153.09 127.68 9.38 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.71 -1.196 . . . . 0.0 109.125 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -97.24 127.37 43.14 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.129 -1.029 . . . . 0.0 109.872 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.3 p -163.5 131.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 118.969 -1.093 . . . . 0.0 108.498 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.68 -145.87 18.16 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 118.757 -1.687 . . . . 0.0 110.016 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -94.41 -69.01 0.77 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.955 -1.098 . . . . 0.0 108.589 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.0 mtp -72.31 176.39 5.32 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.671 -1.212 . . . . 0.0 109.15 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -116.55 130.31 71.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 119.127 -1.029 . . . . 0.0 108.552 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.9 m -100.68 158.77 15.71 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.3 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -166.0 170.2 13.85 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.845 -1.142 . . . . 0.0 109.482 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.449 ' OG1' ' HB3' ' A' ' 21' ' ' LYS . 69.4 p -124.64 87.96 2.81 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.233 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -68.36 134.72 50.69 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.519 -1.273 . . . . 0.0 108.065 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -82.77 122.03 27.66 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 118.382 -1.327 . . . . 0.0 110.107 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -163.64 67.3 0.18 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.04 -52.43 0.08 OUTLIER Glycine 0 CA--C 1.521 0.409 0 C-N-CA 118.546 -1.787 . . . . 0.0 110.377 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.16 -52.75 1.07 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 119.023 -1.561 . . . . 0.0 109.392 -176.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.652 ' O ' ' HB3' ' A' ' 39' ' ' LYS . . . -129.09 41.44 1.55 Allowed Glycine 0 C--N 1.319 -0.374 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.652 ' HB3' ' O ' ' A' ' 38' ' ' GLY . 14.0 ptmm? 168.18 63.25 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 118.993 -1.083 . . . . 0.0 109.011 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.3 p -63.48 167.42 5.54 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.061 -1.056 . . . . 0.0 109.42 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.57 135.99 12.81 Favored Glycine 0 N--CA 1.461 0.352 0 C-N-CA 118.867 -1.635 . . . . 0.0 110.113 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -96.95 139.97 32.18 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 118.979 -1.088 . . . . 0.0 108.768 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.13 -171.02 15.89 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 118.879 -1.629 . . . . 0.0 109.795 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.17 160.52 24.25 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.622 -1.231 . . . . 0.0 109.562 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 p -155.83 136.09 4.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 118.911 -1.116 . . . . 0.0 108.282 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.7 m -66.78 152.54 45.34 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 118.751 -1.18 . . . . 0.0 109.382 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -97.78 43.69 1.06 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.003 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -83.62 -22.75 32.12 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 118.802 -1.159 . . . . 0.0 108.937 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -160.3 57.14 0.35 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.833 -1.147 . . . . 0.0 108.599 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.82 153.58 55.1 Favored Pre-proline 0 C--N 1.321 -0.668 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.786 -178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -52.92 158.43 6.49 Favored 'Trans proline' 0 C--N 1.327 -0.595 0 C-N-CA 121.527 1.485 . . . . 0.0 112.007 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -79.66 -16.98 54.74 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.827 -1.149 . . . . 0.0 110.361 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -64.91 -34.26 77.97 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.275 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.04 -34.12 66.12 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.568 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.602 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 83.5 mt -75.61 -32.72 60.4 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.165 -1.414 . . . . 0.0 109.493 -176.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -81.07 -18.82 45.3 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 118.392 -1.323 . . . . 0.0 110.187 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -76.82 -32.5 57.64 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 118.504 -1.278 . . . . 0.0 109.068 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -108.46 21.57 17.13 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 118.206 -1.398 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.602 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 46.5 mt-10 -160.39 38.9 0.17 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 pptp? -65.49 132.0 47.81 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 118.768 -1.173 . . . . 0.0 108.875 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -169.99 173.77 5.85 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.087 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp . . . . . 0 C--O 1.249 1.056 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.814 179.483 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 121.781 0.801 . . . . 0.0 109.181 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.545 ' HG1' ' NE2' ' A' ' 13' ' ' GLN . 7.0 t -163.51 160.2 22.92 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.648 -1.221 . . . . 0.0 109.583 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -158.04 130.49 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 119.002 -1.079 . . . . 0.0 108.346 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -91.17 103.93 16.55 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.723 -1.191 . . . . 0.0 109.231 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -82.66 85.18 7.06 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.898 -1.121 . . . . 0.0 108.385 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.6 143.94 53.14 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.781 -1.168 . . . . 0.0 110.08 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -140.45 151.18 44.66 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 175.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -67.1 -25.45 66.22 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.645 -1.222 . . . . 0.0 110.311 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.03 -39.49 23.6 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 118.702 -1.713 . . . . 0.0 110.722 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -167.49 134.13 2.21 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.438 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.7 144.51 50.98 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.719 -1.192 . . . . 0.0 109.123 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -133.46 169.96 16.19 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.802 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.545 ' NE2' ' HG1' ' A' ' 2' ' ' THR . 6.3 tm0? -144.49 100.18 3.49 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.78 133.79 42.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.524 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -87.48 151.25 23.19 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.794 -1.162 . . . . 0.0 109.179 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.9 mm -79.94 -23.3 11.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.478 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -89.55 3.22 53.19 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.831 -1.147 . . . . 0.0 110.905 -175.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -113.11 15.69 19.43 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 118.911 -1.115 . . . . 0.0 109.423 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.8 mt -120.59 114.94 45.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 118.924 -1.111 . . . . 0.0 108.622 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -76.8 -76.89 0.15 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 118.634 -1.226 . . . . 0.0 108.001 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.609 ' HA ' HG22 ' A' ' 22' ' ' VAL . 59.4 mtmt -109.82 135.77 50.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 176.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 21' ' ' LYS 0.39 1.9 m 56.61 95.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 123.762 2.983 . . . . 0.0 114.462 7.272 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.6 p90 -163.29 131.88 3.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.399 -1.273 . . . . 0.0 107.607 171.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.24 133.26 34.09 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.641 -1.224 . . . . 0.0 109.841 -171.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.66 -19.58 3.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.62 -130.32 1.21 Allowed Glycine 0 C--N 1.317 -0.474 0 C-N-CA 118.929 -1.605 . . . . 0.0 110.169 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -90.76 -32.03 16.29 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.658 -1.217 . . . . 0.0 110.686 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.6 mtt -87.98 133.72 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 118.613 -1.235 . . . . 0.0 108.369 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.46 119.78 35.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 118.61 -1.236 . . . . 0.0 108.733 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 t -90.55 153.55 20.27 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.88 -1.128 . . . . 0.0 108.461 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.449 ' HA ' ' H ' ' A' ' 22' ' ' VAL . 42.9 p90 -161.81 149.24 14.46 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.209 -1.396 . . . . 0.0 109.64 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.412 HG21 ' HG2' ' A' ' 42' ' ' ARG . 71.0 p -123.74 104.17 8.82 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -89.22 160.8 16.77 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.921 -1.111 . . . . 0.0 108.519 177.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -95.08 121.0 36.26 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.678 -1.209 . . . . 0.0 110.331 -175.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -166.19 84.2 0.3 Allowed 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.216 -0.994 . . . . 0.0 108.551 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.02 -45.11 0.18 Allowed Glycine 0 CA--C 1.52 0.384 0 C-N-CA 118.376 -1.869 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.68 45.39 76.49 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 108.458 -1.857 . . . . 0.0 108.458 -174.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.72 -30.21 2.51 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -174.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -123.4 75.29 1.31 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.9 m -65.1 134.61 54.16 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.211 -0.996 . . . . 0.0 109.427 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.94 156.02 43.42 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 118.713 -1.708 . . . . 0.0 110.114 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' HG2' HG21 ' A' ' 32' ' ' THR . 84.1 mtm180 -150.23 140.41 22.16 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.095 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.76 -157.73 9.05 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 118.741 -1.695 . . . . 0.0 109.996 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.76 174.06 13.74 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.365 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.9 p -156.67 134.83 2.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.294 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.3 p -67.62 148.62 51.15 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.731 -1.187 . . . . 0.0 109.819 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -83.67 -15.8 47.48 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.577 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.34 -31.81 71.47 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.883 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -128.71 65.01 1.43 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.963 -1.095 . . . . 0.0 109.346 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.18 150.99 52.52 Favored Pre-proline 0 C--N 1.321 -0.642 0 C-N-CA 118.934 -1.107 . . . . 0.0 108.71 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.26 143.11 54.3 Favored 'Trans proline' 0 C--N 1.328 -0.549 0 C-N-CA 121.528 1.485 . . . . 0.0 111.532 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -81.27 -20.31 41.16 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.369 -175.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.5 -19.14 61.0 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.779 -1.168 . . . . 0.0 110.346 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 54' ' ' LEU . 5.4 tt -86.29 -30.04 22.6 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.104 -1.038 . . . . 0.0 108.268 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.14 -13.79 56.67 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.767 -1.173 . . . . 0.0 110.696 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -78.34 -21.48 49.47 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.586 -1.246 . . . . 0.0 109.569 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.5 tpp -73.9 -25.84 60.22 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.631 -1.227 . . . . 0.0 108.876 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.916 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 87.4 mt -132.95 87.1 2.37 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.916 ' CG ' ' HA ' ' A' ' 58' ' ' LEU . 43.4 mt-10 -154.16 -91.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 120.349 -1.47 . . . . 0.0 107.709 -1.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.878 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 14.8 ptmm? 146.35 148.89 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 118.883 -1.127 . . . . 0.0 108.918 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -125.28 -100.75 0.39 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.036 -1.065 . . . . 0.0 108.929 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? . . . . . 0 C--O 1.249 1.077 0 C-N-CA 118.67 -1.212 . . . . 0.0 108.146 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 121.716 0.77 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.9 p -127.91 132.73 49.27 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.713 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.9 t -93.33 120.13 42.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 118.836 -1.146 . . . . 0.0 108.528 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -79.78 92.56 5.46 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.728 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -85.87 78.32 9.53 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.472 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -73.16 148.64 43.65 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.911 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -151.24 152.05 32.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -67.01 -27.72 67.65 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.869 -1.132 . . . . 0.0 110.228 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.632 ' O ' ' HB2' ' A' ' 10' ' ' GLU . . . -74.09 -29.14 63.07 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 118.824 -1.655 . . . . 0.0 110.655 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.632 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 42.1 tt0 174.61 136.33 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.433 -1.307 . . . . 0.0 109.471 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -76.81 133.95 39.23 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 118.877 -1.129 . . . . 0.0 108.9 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.34 146.98 51.81 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.612 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -120.4 101.06 7.53 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.089 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.26 177.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.841 -1.144 . . . . 0.0 109.004 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -125.87 147.55 49.43 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.087 -1.045 . . . . 0.0 108.841 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.9 pp -82.39 -13.89 12.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 118.924 -1.11 . . . . 0.0 110.004 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.5 t -93.88 -6.02 46.65 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.646 -1.222 . . . . 0.0 110.213 -176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -103.54 11.93 35.67 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.849 -1.14 . . . . 0.0 109.628 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.9 mt -94.01 98.94 8.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 118.811 -1.156 . . . . 0.0 108.623 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -91.24 -74.99 0.48 Allowed 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.447 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.567 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 8.6 mtpm? -74.28 141.41 45.3 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.551 -178.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -159.63 137.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 118.815 -1.154 . . . . 0.0 108.733 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 38.4 p90 -152.37 134.93 15.3 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.273 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.01 145.81 24.39 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.629 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.1 t -118.01 -21.5 4.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.108 -1.037 . . . . 0.0 108.897 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.84 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . 131.71 111.08 1.33 Allowed Glycine 0 C--N 1.318 -0.444 0 C-N-CA 119.12 -1.514 . . . . 0.0 110.342 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.84 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 3.9 tmtp? 102.86 -50.05 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.856 -1.138 . . . . 0.0 108.772 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 60.5 mtt -132.34 172.07 12.92 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.077 -1.049 . . . . 0.0 108.883 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mm -114.23 115.12 48.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.69 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.4 t -80.64 154.61 27.28 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 118.757 -1.177 . . . . 0.0 109.02 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -162.36 158.8 24.52 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.562 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -123.04 88.37 2.92 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.192 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -76.46 135.48 39.39 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 118.594 -1.242 . . . . 0.0 108.259 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -84.17 122.05 28.31 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.527 -1.269 . . . . 0.0 109.865 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -164.37 78.58 0.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.416 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.16 -44.04 0.07 OUTLIER Glycine 0 CA--C 1.519 0.313 0 C-N-CA 118.586 -1.768 . . . . 0.0 110.311 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.33 39.98 80.89 Favored Glycine 0 C--N 1.319 -0.367 0 C-N-CA 118.654 -1.736 . . . . 0.0 109.482 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.92 -17.41 1.21 Allowed Glycine 0 CA--C 1.52 0.368 0 N-CA-C 108.824 -1.71 . . . . 0.0 108.824 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' HB3' ' HZ3' ' A' ' 39' ' ' LYS . 8.1 ttpm? -153.68 77.6 1.11 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.093 -1.043 . . . . 0.0 108.323 178.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.4 t -64.56 160.57 19.25 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.701 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.69 133.91 11.89 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 118.998 -1.573 . . . . 0.0 110.398 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -105.0 143.02 33.76 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.808 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.78 -169.74 19.74 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 118.657 -1.735 . . . . 0.0 110.009 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.09 160.67 33.35 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.314 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 p -161.05 136.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.844 -1.142 . . . . 0.0 108.422 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.1 p -67.18 149.88 49.88 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.699 -1.2 . . . . 0.0 109.25 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.88 21.58 11.35 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.071 -1.051 . . . . 0.0 109.948 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -80.42 -24.16 39.83 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.394 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -141.79 67.38 1.33 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.965 -1.094 . . . . 0.0 108.771 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -110.36 157.11 39.05 Favored Pre-proline 0 C--N 1.322 -0.63 0 C-N-CA 119.203 -0.999 . . . . 0.0 108.429 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -51.01 159.68 2.38 Favored 'Trans proline' 0 C--N 1.328 -0.525 0 C-N-CA 121.518 1.478 . . . . 0.0 112.106 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -69.14 -28.16 66.2 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.008 -1.077 . . . . 0.0 111.124 -174.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -62.13 -38.62 89.65 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.016 -1.074 . . . . 0.0 110.544 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -79.82 -23.37 42.1 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.592 -1.243 . . . . 0.0 110.044 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.81 -28.0 50.2 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.578 -1.249 . . . . 0.0 109.718 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -82.76 -12.85 57.21 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.763 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.2 tpp -81.33 -24.43 37.14 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.095 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.4 mt -120.83 47.5 1.8 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.932 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -152.2 66.72 0.84 Allowed 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 118.904 -1.119 . . . . 0.0 108.48 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -85.65 109.43 18.57 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -112.36 173.18 6.49 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.062 -1.055 . . . . 0.0 108.973 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.3 tptp . . . . . 0 C--O 1.25 1.123 0 C-N-CA 118.756 -1.177 . . . . 0.0 109.068 -179.626 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 121.677 0.751 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.0 p -127.34 168.63 14.54 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.223 -0.991 . . . . 0.0 108.661 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.72 129.81 18.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.762 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.765 ' HG2' ' H ' ' A' ' 5' ' ' PHE . 39.4 ttmt -82.38 175.32 10.34 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.755 -1.178 . . . . 0.0 110.271 -176.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.765 ' H ' ' HG2' ' A' ' 4' ' ' LYS . 53.2 t80 -164.63 86.03 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.838 -1.145 . . . . 0.0 108.932 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -77.92 130.68 36.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.632 -1.227 . . . . 0.0 109.591 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.505 ' CD2' ' HG3' ' A' ' 8' ' ' LYS . 40.0 t80 -85.39 -80.86 0.21 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 118.872 -1.131 . . . . 0.0 108.325 177.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' HG3' ' CD2' ' A' ' 7' ' ' TYR . 28.7 mtpp -114.95 -69.44 0.86 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.014 -1.074 . . . . 0.0 108.796 174.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.98 29.68 3.88 Favored Glycine 0 N--CA 1.462 0.38 0 C-N-CA 119.1 -1.524 . . . . 0.0 109.847 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -127.79 -171.73 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.161 -1.016 . . . . 0.0 108.922 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -149.26 135.97 19.54 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.443 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.8 mt -137.01 122.24 19.25 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -92.55 162.7 14.09 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.944 -1.103 . . . . 0.0 109.469 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -157.91 132.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 118.903 -1.119 . . . . 0.0 108.757 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -92.0 153.61 19.33 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.832 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mp -65.9 -31.45 53.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 119.455 -0.898 . . . . 0.0 108.983 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 m -72.63 -25.43 61.29 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 118.841 -1.144 . . . . 0.0 111.193 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -82.8 -18.74 39.46 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 118.43 -1.308 . . . . 0.0 110.465 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.9 mt -70.32 108.7 2.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 C-N-CA 118.349 -1.34 . . . . 0.0 108.187 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -93.88 -89.17 0.22 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.903 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -68.66 144.32 54.5 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.855 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.5 135.78 6.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 118.928 -1.109 . . . . 0.0 108.71 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -144.39 169.1 18.58 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.857 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -145.79 85.47 1.7 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.626 -1.229 . . . . 0.0 110.071 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -127.8 82.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 174.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.66 -146.23 12.19 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 118.615 -1.755 . . . . 0.0 110.027 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HD2' ' HG3' ' A' ' 28' ' ' MET . 12.9 tmtt? -89.91 -68.42 0.78 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.468 -178.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.508 ' HG2' ' HG ' ' A' ' 46' ' ' SER . 59.8 mtt -90.03 165.33 14.09 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.061 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.0 mt -90.34 125.52 43.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 118.927 -1.109 . . . . 0.0 108.867 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.7 t -95.06 162.53 13.68 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.045 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -161.88 170.79 18.82 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.979 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.4 p -125.05 98.83 5.84 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.951 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -79.85 146.26 32.31 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 118.823 -1.151 . . . . 0.0 108.063 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -100.46 90.3 4.25 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.721 -1.192 . . . . 0.0 110.107 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -133.65 81.86 1.95 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.249 -0.981 . . . . 0.0 108.567 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.88 -42.79 0.03 OUTLIER Glycine 0 C--N 1.319 -0.374 0 C-N-CA 118.495 -1.812 . . . . 0.0 110.427 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.68 40.62 90.19 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 118.589 -1.767 . . . . 0.0 108.958 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 137.37 -5.95 3.57 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 -175.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -148.48 76.9 1.38 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.103 -1.039 . . . . 0.0 108.52 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.4 m -64.54 129.73 40.98 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.275 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.13 145.64 17.78 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 118.831 -1.652 . . . . 0.0 110.291 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -113.02 143.02 45.02 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.99 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.41 -167.84 14.82 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 118.812 -1.661 . . . . 0.0 109.786 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.56 164.45 31.99 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 118.601 -1.24 . . . . 0.0 109.431 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.6 p -161.63 136.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.29 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.508 ' HG ' ' HG2' ' A' ' 28' ' ' MET . 48.9 m -67.77 151.94 46.4 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.392 -178.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -98.57 15.91 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.056 -1.057 . . . . 0.0 110.395 -176.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.627 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 4.4 ttmp? -95.18 3.79 54.29 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.698 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -159.28 47.34 0.3 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.046 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.06 156.29 42.09 Favored Pre-proline 0 C--N 1.321 -0.643 0 C-N-CA 119.072 -1.051 . . . . 0.0 108.577 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.22 157.55 4.29 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 121.619 1.546 . . . . 0.0 112.028 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -81.83 -10.72 59.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 118.914 -1.115 . . . . 0.0 110.99 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.7 -35.56 81.11 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.657 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -78.93 -25.79 43.68 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.636 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -79.65 -24.13 42.05 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.641 -1.224 . . . . 0.0 109.986 -177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -79.02 -17.72 54.84 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.774 -1.17 . . . . 0.0 109.714 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.0 ttt -66.15 -40.55 90.64 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.894 -1.122 . . . . 0.0 109.849 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.3 mt -99.28 -22.74 15.46 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.17 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -101.04 64.89 1.06 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.192 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.45 94.43 5.57 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.637 -1.225 . . . . 0.0 108.865 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -96.83 175.09 6.48 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.006 -1.078 . . . . 0.0 108.876 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt . . . . . 0 C--O 1.251 1.14 0 C-N-CA 118.751 -1.18 . . . . 0.0 108.973 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 121.895 0.855 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.3 t -158.04 156.4 31.02 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.129 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.7 t -122.21 127.45 75.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.103 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -76.57 94.07 3.68 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.725 -1.19 . . . . 0.0 108.911 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -98.21 82.84 2.99 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.889 -175.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.571 ' HZ3' ' HB3' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -79.05 -172.13 2.96 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.651 -1.22 . . . . 0.0 108.715 176.669 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.541 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 51.6 t80 -143.94 -89.44 0.12 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.699 -1.201 . . . . 0.0 109.021 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.541 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 7.0 mmpt? -103.42 -76.68 0.58 Allowed 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.698 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.53 30.42 4.03 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 119.199 -1.477 . . . . 0.0 109.553 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -123.68 -175.13 3.14 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.91 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -147.53 132.82 18.46 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.871 -1.132 . . . . 0.0 108.998 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.39 174.44 9.86 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.104 -1.038 . . . . 0.0 108.216 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -151.34 94.31 2.01 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.285 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -74.61 178.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.885 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -133.9 161.47 34.67 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.748 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.0 tp -80.18 -17.35 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 118.952 -1.099 . . . . 0.0 111.078 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -95.42 -20.33 19.17 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.542 -1.263 . . . . 0.0 111.423 -171.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.671 ' HD3' ' HB3' ' A' ' 34' ' ' ASP . 24.6 ttmm -93.33 -2.14 55.2 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.52 -1.272 . . . . 0.0 110.742 -173.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.6 mt -71.69 118.39 16.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 118.305 -1.358 . . . . 0.0 108.294 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -92.88 -102.95 0.12 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.874 -1.131 . . . . 0.0 110.017 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HB2' ' HZ2' ' A' ' 21' ' ' LYS . 10.4 mtmp? -74.62 144.17 44.02 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.781 -1.168 . . . . 0.0 110.262 -174.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -150.91 136.89 12.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.7 p90 -143.52 167.95 21.0 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.839 -1.144 . . . . 0.0 109.733 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.762 ' HG2' ' CD1' ' A' ' 29' ' ' ILE . 4.4 tmt_? -138.85 120.69 15.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -159.01 35.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.825 1.298 . . . . 0.0 108.303 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.08 -143.96 4.32 Favored Glycine 0 C--N 1.319 -0.395 0 C-N-CA 118.739 -1.696 . . . . 0.0 110.124 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -84.07 -73.91 0.4 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 118.921 -1.111 . . . . 0.0 109.339 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.9 mtt -82.82 155.39 24.21 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.728 -1.189 . . . . 0.0 109.355 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.762 ' CD1' ' HG2' ' A' ' 24' ' ' ARG . 49.6 mm -89.96 127.21 42.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.044 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.6 t -94.25 161.85 14.09 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.36 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -162.77 162.76 26.82 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.996 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.7 p -123.4 91.05 3.39 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.94 -1.104 . . . . 0.0 109.269 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -76.71 144.81 39.08 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.763 -1.175 . . . . 0.0 108.41 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.671 ' HB3' ' HD3' ' A' ' 18' ' ' LYS . 34.3 t70 -82.21 137.49 34.89 Favored 'General case' 0 C--N 1.319 -0.717 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.616 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -164.1 89.08 0.54 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.131 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.94 -37.02 2.23 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 118.935 -1.602 . . . . 0.0 110.185 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.09 48.47 19.89 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 118.617 -1.754 . . . . 0.0 109.725 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.72 -15.39 0.15 Allowed Glycine 0 CA--C 1.52 0.362 0 C-N-CA 118.773 -1.679 . . . . 0.0 109.769 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -115.44 -39.72 3.53 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.171 -1.011 . . . . 0.0 108.867 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 m 57.79 98.38 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.075 0.941 . . . . 0.0 110.343 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.78 152.71 49.36 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 118.671 -1.728 . . . . 0.0 110.048 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -133.79 122.78 23.77 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.113 -1.035 . . . . 0.0 109.219 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.89 -161.67 9.52 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 119.046 -1.55 . . . . 0.0 109.514 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.84 167.22 23.1 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 118.573 -1.251 . . . . 0.0 109.538 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 p -160.25 135.66 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.302 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -66.61 145.71 55.3 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.681 -1.208 . . . . 0.0 108.925 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -100.98 36.36 1.98 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.938 -1.105 . . . . 0.0 109.254 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -82.6 -23.37 34.41 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.896 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -151.03 61.31 0.91 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.975 -1.09 . . . . 0.0 108.458 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 154.53 64.59 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 118.877 -1.129 . . . . 0.0 108.551 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.92 147.03 10.86 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 C-N-CA 121.503 1.469 . . . . 0.0 111.333 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -74.93 -23.88 58.4 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.59 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.28 -31.2 70.49 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.234 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 54' ' ' LEU . 2.6 tt -77.03 -29.68 55.41 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.736 -1.185 . . . . 0.0 108.51 -178.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.2 -30.74 63.73 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.661 -1.216 . . . . 0.0 110.099 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -86.09 -5.29 59.24 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.669 -1.212 . . . . 0.0 110.055 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 ttt -91.39 -27.85 18.06 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.844 -1.143 . . . . 0.0 110.139 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.97 24.51 8.25 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.522 -1.271 . . . . 0.0 110.299 -174.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -133.6 66.46 1.55 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.124 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -89.57 111.54 22.5 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.712 -1.195 . . . . 0.0 108.543 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -115.75 -108.73 0.37 Allowed 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 118.98 -1.088 . . . . 0.0 109.064 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.9 tptm . . . . . 0 C--O 1.25 1.107 0 C-N-CA 118.632 -1.227 . . . . 0.0 109.154 -178.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.515 0 CA-C-O 121.661 0.743 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.2 p -129.64 138.08 51.02 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.815 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.8 t -89.4 125.57 42.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 118.787 -1.165 . . . . 0.0 108.335 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -115.04 94.75 4.88 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.066 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -91.36 135.54 33.75 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.017 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -107.43 -173.93 2.41 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.146 -1.022 . . . . 0.0 109.403 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -144.92 -81.28 0.16 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.967 -1.093 . . . . 0.0 109.076 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.537 ' HZ1' ' HB2' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -111.61 -78.08 0.59 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.962 178.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.09 24.92 5.0 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 119.042 -1.551 . . . . 0.0 110.093 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -127.43 177.68 6.58 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.45 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 134.91 13.72 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.694 -1.203 . . . . 0.0 109.592 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 mp -118.85 168.05 11.13 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.38 133.78 26.41 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.993 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -128.15 146.16 34.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.214 -0.995 . . . . 0.0 109.296 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.418 ' HB3' ' CB ' ' A' ' 18' ' ' LYS . 23.7 t0 -87.11 145.33 26.48 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.026 -1.069 . . . . 0.0 109.045 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -72.27 -34.98 51.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.653 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -85.23 -4.97 59.34 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.685 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 24.4 ttmm -93.86 0.83 56.4 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.976 -1.09 . . . . 0.0 110.152 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.1 mt -82.22 127.4 39.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 C-N-CA 118.679 -1.209 . . . . 0.0 108.886 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -125.81 154.28 42.84 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.895 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.453 ' HE2' ' HG1' ' A' ' 32' ' ' THR . 37.9 mtmm 57.27 93.32 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.803 0.811 . . . . 0.0 110.379 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.23 148.1 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.009 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.0 p90 -151.92 146.67 25.81 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.738 -1.185 . . . . 0.0 109.018 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HG2' HD11 ' A' ' 29' ' ' ILE . 84.7 mtm180 -114.21 121.21 43.02 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.076 -1.049 . . . . 0.0 110.14 -175.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 m -130.36 -172.6 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 175.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.851 ' O ' ' HB2' ' A' ' 27' ' ' LYS . . . -79.32 88.64 1.2 Allowed Glycine 0 CA--C 1.521 0.419 0 C-N-CA 118.724 -1.703 . . . . 0.0 110.334 -179.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.851 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 62.0 tttm 154.0 73.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.539 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.8 mmt 60.08 -177.29 0.1 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.914 0.864 . . . . 0.0 110.405 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.404 HD11 ' HG2' ' A' ' 24' ' ' ARG . 48.2 mm -107.11 121.05 59.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.615 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.5 p -101.86 159.96 14.89 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.147 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -165.24 168.95 16.51 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 118.734 -1.187 . . . . 0.0 109.484 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 68.4 p -126.4 89.64 3.04 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.134 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -69.6 143.84 53.18 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 118.528 -1.269 . . . . 0.0 108.587 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -86.86 138.25 31.73 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.559 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -165.51 76.46 0.25 Allowed 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 119.08 -1.048 . . . . 0.0 108.472 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 153.3 -35.33 0.76 Allowed Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.803 -1.665 . . . . 0.0 109.898 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.94 -14.96 57.17 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 118.985 -1.578 . . . . 0.0 110.019 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.13 37.61 0.26 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.78 -1.676 . . . . 0.0 110.024 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -147.06 -40.06 0.19 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.3 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.0 p 53.0 -168.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.111 0.958 . . . . 0.0 110.731 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.522 ' O ' ' HA ' ' A' ' 32' ' ' THR . . . -157.93 135.18 4.2 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.787 -1.673 . . . . 0.0 109.951 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -97.75 146.62 25.2 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.998 -1.081 . . . . 0.0 109.197 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.6 -173.73 30.61 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 118.794 -1.67 . . . . 0.0 109.755 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.42 153.7 17.89 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 118.606 -1.238 . . . . 0.0 109.47 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 p -161.91 136.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 C-N-CA 118.821 -1.152 . . . . 0.0 108.416 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.9 p -65.5 150.45 48.36 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.486 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -89.85 -1.83 58.07 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.133 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -76.29 -28.58 57.05 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.741 -1.183 . . . . 0.0 109.314 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.53 47.46 0.88 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.715 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.36 154.69 43.61 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.91 166.64 29.45 Favored 'Trans proline' 0 C--N 1.326 -0.612 0 C-N-CA 121.235 1.29 . . . . 0.0 109.737 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -27.25 61.19 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.936 -1.106 . . . . 0.0 110.377 -174.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -68.43 -32.77 73.05 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 118.738 -1.185 . . . . 0.0 110.423 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 54' ' ' LEU . 4.1 tt -78.8 -33.33 46.29 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 118.548 -1.261 . . . . 0.0 108.587 -177.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -81.27 -24.29 37.39 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.611 -1.236 . . . . 0.0 110.277 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -97.22 23.13 7.74 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.769 -1.172 . . . . 0.0 109.419 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.4 tpp -116.79 -24.12 7.83 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.084 -1.046 . . . . 0.0 109.187 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -127.3 -26.71 3.03 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.669 -1.212 . . . . 0.0 111.278 -176.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -90.71 71.77 6.71 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.459 -1.296 . . . . 0.0 110.875 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.26 106.14 5.76 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 118.61 -1.236 . . . . 0.0 108.027 171.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -124.02 156.38 36.58 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.081 -1.048 . . . . 0.0 108.875 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.0 mttm . . . . . 0 C--O 1.25 1.107 0 C-N-CA 119.103 -1.039 . . . . 0.0 108.888 -179.874 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.572 0 CA-C-O 121.726 0.774 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.8 p -126.95 151.92 47.86 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.754 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.8 t -120.68 128.36 76.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.38 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -90.59 113.39 25.39 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.335 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -98.75 102.14 13.78 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.106 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.656 ' HG2' ' H ' ' A' ' 8' ' ' LYS . 41.0 ttmt -88.48 141.76 28.27 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.963 -1.095 . . . . 0.0 109.666 -178.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 1.269 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 68.3 t80 -127.03 18.64 7.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.247 1.022 . . . . 0.0 108.521 178.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 1.269 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 25.5 pttm 60.86 26.88 16.72 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.708 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.55 -50.7 0.02 OUTLIER Glycine 0 CA--C 1.521 0.46 0 C-N-CA 119.103 -1.522 . . . . 0.0 109.689 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -148.83 136.4 20.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.232 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.36 101.95 10.14 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.691 -1.204 . . . . 0.0 109.372 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.5 109.83 20.97 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.171 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -82.89 105.67 14.09 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 118.882 -1.127 . . . . 0.0 108.663 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.4 m -81.91 175.41 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 118.783 -1.167 . . . . 0.0 108.996 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.858 ' OD2' ' HG3' ' A' ' 18' ' ' LYS . 24.7 t0 -116.3 143.32 45.68 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.111 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.7 tt -81.09 -16.77 12.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.001 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.0 m -98.34 0.76 46.12 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.095 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.858 ' HG3' ' OD2' ' A' ' 15' ' ' ASP . 29.3 mtpp -105.81 8.02 32.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.797 -1.161 . . . . 0.0 109.736 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.9 mt -91.44 82.89 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.946 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.728 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -88.4 138.1 31.74 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.604 177.239 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.728 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 49.7 mmtm 73.47 116.52 0.05 Allowed 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.581 -1.248 . . . . 0.0 108.832 -178.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.31 137.93 33.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 119.044 -1.062 . . . . 0.0 108.552 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 43.1 p90 -149.46 131.16 15.0 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.813 -1.155 . . . . 0.0 108.906 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -106.01 139.72 40.11 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.402 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -163.72 132.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 118.98 -1.088 . . . . 0.0 108.561 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.6 -130.72 10.45 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.841 -1.647 . . . . 0.0 109.786 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HD2' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -136.16 18.59 3.19 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.788 -1.165 . . . . 0.0 111.684 -178.37 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.762 ' HG3' ' HA ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -135.95 156.36 48.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 163.67 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.2 mt -91.12 124.8 43.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 118.776 -1.17 . . . . 0.0 109.032 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -105.53 157.01 17.68 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.111 -1.035 . . . . 0.0 108.972 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -164.9 -177.01 4.46 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.238 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.2 t -142.64 121.76 12.94 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.639 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -92.86 -173.27 3.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -149.15 122.09 8.78 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.417 -1.313 . . . . 0.0 110.083 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.1 29.32 3.73 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.126 176.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.5 -85.94 0.06 OUTLIER Glycine 0 CA--C 1.521 0.418 0 C-N-CA 118.787 -1.673 . . . . 0.0 110.257 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.09 -66.45 0.06 OUTLIER Glycine 0 CA--C 1.52 0.368 0 C-N-CA 118.788 -1.673 . . . . 0.0 109.863 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.61 -14.94 64.6 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 118.922 -1.609 . . . . 0.0 109.472 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 40' ' ' THR . 41.3 ttmt -150.78 103.02 3.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 28.5 m 63.26 74.7 0.42 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 123.432 2.833 . . . . 0.0 111.817 4.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.49 -172.17 38.05 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 119.04 -1.552 . . . . 0.0 110.037 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.09 93.15 2.8 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.137 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.57 -173.39 36.69 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 118.895 -1.621 . . . . 0.0 109.842 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.18 169.47 24.08 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.733 -1.187 . . . . 0.0 109.123 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 p -162.05 136.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.493 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.762 ' HA ' ' HG3' ' A' ' 28' ' ' MET . 47.0 t -67.58 152.38 45.73 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.504 -178.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.15 10.63 37.09 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.093 -1.043 . . . . 0.0 110.005 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -81.33 -27.47 34.94 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.384 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -134.71 35.0 3.15 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.324 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.88 154.32 64.39 Favored Pre-proline 0 C--N 1.321 -0.65 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.454 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.31 143.09 35.09 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 121.45 1.433 . . . . 0.0 111.694 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.76 -26.94 50.17 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.778 -1.169 . . . . 0.0 110.427 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -76.32 -14.57 60.1 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.739 -1.184 . . . . 0.0 110.778 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.404 ' O ' HD21 ' A' ' 54' ' ' LEU . 4.8 tt -83.64 -33.86 25.17 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.499 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.61 -34.05 58.38 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.68 -1.208 . . . . 0.0 110.447 -174.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -84.05 -10.44 57.85 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.598 -1.241 . . . . 0.0 110.224 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.5 tpp -84.53 -22.42 30.16 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.744 -1.182 . . . . 0.0 109.373 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.8 mt -120.93 37.54 4.29 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.801 -1.159 . . . . 0.0 109.785 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -166.48 74.42 0.17 Allowed 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 118.44 -1.304 . . . . 0.0 109.093 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.669 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 64.3 pttt -63.38 105.08 0.69 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.428 -1.309 . . . . 0.0 107.723 174.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -112.83 92.98 4.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.596 -168.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.151 0 C-N-CA 118.568 -1.253 . . . . 0.0 108.109 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 121.601 0.715 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.1 p -127.21 152.01 47.95 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.183 -1.007 . . . . 0.0 108.856 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.8 t -106.94 127.97 62.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 119.121 -1.032 . . . . 0.0 108.526 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -93.5 157.48 16.18 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.286 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -163.04 80.54 0.47 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.929 -1.108 . . . . 0.0 108.637 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 20.2 ptpt -73.77 132.92 43.12 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.702 -177.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.409 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 46.2 t80 -77.27 -88.34 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.169 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 49.1 mmtm -106.63 -73.98 0.67 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 119.154 -1.018 . . . . 0.0 108.34 173.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.47 20.37 7.42 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.033 -1.556 . . . . 0.0 109.906 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -120.46 130.67 54.41 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.114 -1.035 . . . . 0.0 108.476 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -81.87 156.08 25.01 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.088 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -153.06 121.78 6.43 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.866 -1.134 . . . . 0.0 108.639 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -107.68 167.66 9.8 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.523 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.6 p -160.74 132.47 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.603 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -73.41 145.91 45.47 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 118.623 -1.231 . . . . 0.0 108.755 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.21 -32.49 38.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 118.92 -1.112 . . . . 0.0 110.228 -174.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -84.65 -6.44 59.36 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.716 -1.194 . . . . 0.0 110.558 -175.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 40.9 ttpt -89.66 -15.31 32.93 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.019 -1.072 . . . . 0.0 109.369 -178.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.2 mt -68.14 106.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 118.958 -1.097 . . . . 0.0 108.866 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.635 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 61.9 mttp -102.14 147.42 26.64 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.105 -1.038 . . . . 0.0 109.177 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 76.0 mmtt 69.99 92.24 0.09 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.707 -1.197 . . . . 0.0 109.084 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.4 m -124.61 141.61 44.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 119.007 -1.077 . . . . 0.0 109.012 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 41.8 p90 -155.37 132.09 10.57 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.898 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -107.85 121.6 45.09 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.908 -1.117 . . . . 0.0 109.55 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 m -136.98 141.92 39.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.488 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 27' ' ' LYS . . . 81.21 -87.4 1.37 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.767 -1.682 . . . . 0.0 110.275 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 55.8 mtmt -155.96 -63.58 0.11 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.257 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.632 ' HG3' ' HG ' ' A' ' 46' ' ' SER . 2.1 mpt? -67.77 159.76 29.57 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.802 -1.159 . . . . 0.0 108.762 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -103.61 117.96 49.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 118.998 -1.081 . . . . 0.0 108.511 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.2 m -94.92 156.37 16.37 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.01 -1.076 . . . . 0.0 108.705 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -165.47 174.55 9.87 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.515 -1.274 . . . . 0.0 109.864 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.1 p -124.67 151.34 45.07 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -142.29 143.18 32.69 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.849 -1.14 . . . . 0.0 109.537 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -86.08 145.62 26.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.042 -1.063 . . . . 0.0 108.496 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.646 ' H ' ' CA ' ' A' ' 36' ' ' GLY . 13.1 pt-20 -137.3 -22.35 1.15 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -177.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.646 ' CA ' ' H ' ' A' ' 35' ' ' GLU . . . -174.71 -107.45 0.21 Allowed Glycine 0 N--CA 1.462 0.423 0 CA-C-N 123.596 2.907 . . . . 0.0 108.586 -0.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.88 -71.85 2.36 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 118.921 -1.609 . . . . 0.0 110.522 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.12 51.43 0.34 Allowed Glycine 0 C--N 1.319 -0.405 0 C-N-CA 118.826 -1.654 . . . . 0.0 109.916 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -134.23 -38.78 0.85 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.121 -1.032 . . . . 0.0 108.686 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.9 m 55.2 86.14 0.06 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.134 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.95 172.3 37.16 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.724 -1.703 . . . . 0.0 110.211 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -155.27 144.49 20.97 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.986 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.52 -155.82 8.6 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 118.672 -1.728 . . . . 0.0 109.867 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.55 167.75 20.95 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 118.694 -1.203 . . . . 0.0 109.42 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 p -157.44 132.22 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 118.814 -1.154 . . . . 0.0 108.378 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.632 ' HG ' ' HG3' ' A' ' 28' ' ' MET . 51.6 m -71.5 152.63 42.85 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 118.644 -1.222 . . . . 0.0 109.286 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.37 -12.79 59.91 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.556 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -70.13 -32.28 70.21 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.703 -1.199 . . . . 0.0 109.768 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -124.12 56.85 1.24 Allowed 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.242 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -118.97 153.69 52.83 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.531 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.37 147.82 27.83 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.517 1.478 . . . . 0.0 111.665 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -78.48 -26.23 45.97 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 118.751 -1.18 . . . . 0.0 110.355 -174.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -74.77 -20.07 59.95 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.729 -1.188 . . . . 0.0 110.169 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.415 HD22 ' O ' ' A' ' 54' ' ' LEU . 4.2 tt -77.02 -31.57 56.43 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.058 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.07 -31.79 68.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.836 -1.146 . . . . 0.0 109.651 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -77.61 -21.26 52.59 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.746 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.9 ttt -72.95 -29.68 63.28 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.672 -1.211 . . . . 0.0 108.861 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.959 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . 94.8 mt -132.39 84.01 2.12 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 175.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.959 ' HB3' ' HA ' ' A' ' 58' ' ' LEU . 12.5 pt-20 178.34 -171.9 0.12 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 120.75 -1.219 . . . . 0.0 109.12 1.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -129.1 154.88 46.26 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.093 -1.043 . . . . 0.0 108.577 175.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -132.45 173.33 11.41 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 118.98 -1.088 . . . . 0.0 108.849 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 C-N-CA 118.706 -1.198 . . . . 0.0 109.494 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 121.762 0.791 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t -159.56 159.05 32.84 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.34 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.0 t -126.78 128.81 71.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.394 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 58.7 pttt -121.15 113.9 20.67 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.621 177.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -99.77 129.2 45.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.881 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 132.64 42.92 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.787 -1.165 . . . . 0.0 109.579 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -167.16 97.7 0.51 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.904 -1.118 . . . . 0.0 108.607 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.959 ' HB2' ' CA ' ' A' ' 9' ' ' GLY . 75.9 mmtt -68.82 -66.2 0.6 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 119.539 -1.975 . . . . 0.0 110.691 0.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.959 ' CA ' ' HB2' ' A' ' 8' ' ' LYS . . . 150.51 -61.09 0.42 Allowed Glycine 0 N--CA 1.463 0.467 0 N-CA-C 107.418 -2.273 . . . . 0.0 107.418 -8.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -137.45 138.1 39.43 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 173.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -69.41 134.78 49.42 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.62 -1.232 . . . . 0.0 109.301 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -142.48 91.48 2.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 4' ' ' LYS . 26.3 tt0 -99.92 130.85 46.14 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.826 -176.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.94 138.68 52.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.15 159.04 27.11 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.12 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.6 pt -90.01 -3.07 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.17 -1.012 . . . . 0.0 110.79 -175.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.0 p -88.15 -10.01 51.32 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.441 -175.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -93.4 -1.44 55.82 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.886 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.4 mt -78.43 129.58 37.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 118.556 -1.258 . . . . 0.0 107.732 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.739 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 25.3 pttm -147.53 -0.93 0.63 Allowed 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 118.538 -1.265 . . . . 0.0 110.056 -177.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.923 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 2.8 mmmp? -132.11 100.42 5.04 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.828 -1.149 . . . . 0.0 109.071 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.48 144.15 37.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.246 -0.982 . . . . 0.0 108.931 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -149.73 138.7 21.1 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.954 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -93.96 118.42 31.46 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.885 -171.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -163.21 130.44 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 118.999 -1.08 . . . . 0.0 108.484 173.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.11 -168.64 32.68 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 118.76 -1.686 . . . . 0.0 110.328 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.732 ' HG3' ' HG3' ' A' ' 28' ' ' MET . 21.9 ptmt -86.67 -13.34 45.79 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.996 -1.082 . . . . 0.0 110.639 -177.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.732 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 63.1 mtt -122.4 161.65 23.08 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 118.758 -1.177 . . . . 0.0 109.395 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mm -101.44 131.5 49.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 119.079 -1.049 . . . . 0.0 108.992 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -101.41 164.73 11.62 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.988 -1.085 . . . . 0.0 108.99 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -164.74 166.56 19.79 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.662 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.923 ' OG1' ' HB2' ' A' ' 21' ' ' LYS . 73.9 p -124.81 86.44 2.56 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.177 -178.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -69.94 144.84 52.28 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 118.44 -1.304 . . . . 0.0 108.07 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.436 ' HB2' ' HZ3' ' A' ' 20' ' ' LYS . 28.4 t70 -91.06 118.93 30.8 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.486 -1.286 . . . . 0.0 110.504 -174.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -164.87 77.13 0.31 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.489 ' HA3' ' HD2' ' A' ' 39' ' ' LYS . . . -179.75 -46.43 0.08 OUTLIER Glycine 0 CA--C 1.52 0.354 0 C-N-CA 118.594 -1.765 . . . . 0.0 110.425 -177.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.55 38.6 57.51 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 118.641 -1.742 . . . . 0.0 109.477 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.7 -15.13 0.71 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.489 ' HD2' ' HA3' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -157.71 71.64 0.63 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.019 -1.073 . . . . 0.0 109.026 179.063 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.4 p -59.83 161.28 6.58 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.782 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.09 167.51 23.94 Favored Glycine 0 C--N 1.32 -0.327 0 C-N-CA 118.891 -1.623 . . . . 0.0 110.201 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -131.22 141.48 50.04 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.143 -1.023 . . . . 0.0 108.946 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.39 177.99 21.24 Favored Glycine 0 N--CA 1.461 0.355 0 C-N-CA 118.92 -1.609 . . . . 0.0 109.771 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.03 143.17 13.84 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.187 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.3 p -161.5 136.24 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 118.772 -1.171 . . . . 0.0 108.226 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.6 t -67.04 157.07 34.42 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.693 -1.203 . . . . 0.0 109.643 -177.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -91.81 12.14 22.44 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.152 -1.019 . . . . 0.0 110.083 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -75.21 -26.6 59.09 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.649 -1.22 . . . . 0.0 109.478 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -134.89 71.33 1.44 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.031 -1.067 . . . . 0.0 108.874 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.7 153.96 76.17 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.254 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -56.76 156.28 23.76 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.306 1.337 . . . . 0.0 111.985 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -26.64 60.04 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.119 -1.032 . . . . 0.0 110.211 -175.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.42 -34.54 78.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.423 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.46 -34.71 65.51 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.264 -1.375 . . . . 0.0 108.968 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.53 -32.97 54.37 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.733 -175.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -80.8 -18.39 47.7 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 118.769 -1.172 . . . . 0.0 109.76 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.4 tpp -80.19 -30.9 38.78 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.705 -1.198 . . . . 0.0 110.071 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.9 mt -106.86 -29.34 9.55 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.605 -1.238 . . . . 0.0 110.894 -173.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -93.09 71.35 4.59 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.691 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -92.18 137.12 32.63 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.757 -1.177 . . . . 0.0 108.551 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -122.03 -136.35 0.31 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.924 -1.11 . . . . 0.0 108.695 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 C-N-CA 118.723 -1.191 . . . . 0.0 109.673 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 121.755 0.788 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -162.52 164.63 26.83 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.691 -1.204 . . . . 0.0 109.103 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.3 t -122.85 102.08 10.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 119.074 -1.05 . . . . 0.0 108.755 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.71 168.94 6.98 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.179 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -159.76 80.73 0.72 Allowed 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.667 -1.213 . . . . 0.0 109.48 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 14.8 ptmm? -76.83 158.28 30.93 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.728 -1.189 . . . . 0.0 108.911 178.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -101.8 -96.7 0.28 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.875 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 -34.2 7.18 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 118.404 -1.318 . . . . 0.0 109.592 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.73 31.86 0.75 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 118.82 -1.657 . . . . 0.0 109.961 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 45.2 mt-10 -128.9 -176.13 3.76 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.109 -1.036 . . . . 0.0 108.826 -179.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -141.94 131.05 23.28 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.994 -1.083 . . . . 0.0 108.766 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.19 167.27 18.67 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.05 -1.06 . . . . 0.0 108.368 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -152.76 131.65 12.49 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.808 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -139.57 132.7 36.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.97 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.11 159.45 18.9 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.917 -1.113 . . . . 0.0 108.253 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.24 -29.05 41.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.241 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.5 p -80.76 -4.43 54.51 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.833 -1.147 . . . . 0.0 110.81 -177.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -98.81 12.77 34.66 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.448 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mt -120.17 137.01 55.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.31 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -124.69 -44.09 1.98 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.878 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' HA ' ' HB ' ' A' ' 22' ' ' VAL . 31.6 tttt -137.49 116.59 12.52 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 -178.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.576 ' H ' ' HA ' ' A' ' 31' ' ' PHE 0.259 58.2 t 68.38 82.44 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 124.283 3.219 . . . . 0.0 112.336 3.119 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.4 p90 -164.27 131.12 3.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 113.627 -1.624 . . . . 0.0 106.872 168.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.514 ' HG3' ' HA ' ' A' ' 29' ' ' ILE . 4.1 mmp_? -148.14 176.14 10.46 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.522 -1.271 . . . . 0.0 110.75 -177.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -163.58 24.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.43 -113.82 0.36 Allowed Glycine 0 CA--C 1.519 0.329 0 C-N-CA 118.578 -1.773 . . . . 0.0 111.514 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 1.037 ' HG2' ' HG3' ' A' ' 28' ' ' MET . 24.2 ttmm -95.12 147.54 23.33 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.083 -170.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 1.037 ' HG3' ' HG2' ' A' ' 27' ' ' LYS . 84.1 mtp 62.22 -177.35 0.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.784 172.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.514 ' HA ' ' HG3' ' A' ' 24' ' ' ARG . 4.2 mp -128.08 121.01 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.408 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.0 m -93.68 142.11 27.72 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.3 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.576 ' HA ' ' H ' ' A' ' 22' ' ' VAL . 55.1 p90 -158.04 148.84 20.79 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.355 -1.338 . . . . 0.0 110.095 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.829 HG22 ' HG3' ' A' ' 42' ' ' ARG . 70.5 p -126.6 95.9 4.5 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.21 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -73.33 170.38 15.16 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.74 -1.184 . . . . 0.0 108.631 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -137.03 122.77 19.9 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.717 -1.193 . . . . 0.0 109.591 -178.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -159.76 77.52 0.68 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 118.626 -1.23 . . . . 0.0 109.816 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.05 123.27 0.86 Allowed Glycine 0 N--CA 1.463 0.481 0 O-C-N 120.083 -1.636 . . . . 0.0 109.725 0.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.22 67.46 0.9 Allowed Glycine 0 CA--C 1.52 0.361 0 C-N-CA 118.985 -1.579 . . . . 0.0 110.33 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.3 -20.06 33.4 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 119.033 -1.556 . . . . 0.0 110.594 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -82.03 -81.64 0.14 Allowed 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.589 -1.244 . . . . 0.0 109.221 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 m 57.1 91.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.804 0.812 . . . . 0.0 110.482 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.49 139.07 14.75 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 118.847 -1.644 . . . . 0.0 110.169 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.829 ' HG3' HG22 ' A' ' 32' ' ' THR . 0.5 OUTLIER -90.22 150.38 22.0 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.033 -1.067 . . . . 0.0 108.392 179.347 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.46 172.72 36.92 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 118.793 -1.67 . . . . 0.0 110.019 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.22 164.57 27.65 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.73 -1.188 . . . . 0.0 109.212 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.4 p -162.93 135.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 118.8 -1.16 . . . . 0.0 108.364 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -71.96 160.3 32.76 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 118.646 -1.222 . . . . 0.0 109.634 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.07 24.58 5.47 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.173 -1.011 . . . . 0.0 110.776 -177.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -93.85 -4.04 50.79 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.578 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -163.77 53.82 0.16 Allowed 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 118.835 -1.146 . . . . 0.0 108.481 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.75 152.17 40.74 Favored Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.002 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.54 151.87 22.92 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.458 1.438 . . . . 0.0 111.602 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -81.73 -13.53 57.69 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.844 -1.142 . . . . 0.0 109.78 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.23 -33.0 74.95 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.577 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.56 -34.23 62.88 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.512 -1.275 . . . . 0.0 108.958 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.7 mt -77.56 -30.04 52.46 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 118.486 -1.286 . . . . 0.0 109.84 -176.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -83.83 -17.35 41.28 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 118.639 -1.225 . . . . 0.0 109.845 -177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 tpt -97.02 -25.04 15.51 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.689 -1.204 . . . . 0.0 110.606 -174.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.5 mt -126.1 21.76 7.38 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 118.328 -1.349 . . . . 0.0 111.244 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.526 ' O ' ' HB2' ' A' ' 60' ' ' LYS . 78.5 mm-40 -131.55 -32.17 1.53 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.65 -1.22 . . . . 0.0 108.527 174.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 59' ' ' GLU . 75.8 mmtt 65.58 95.04 0.06 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 118.884 -1.126 . . . . 0.0 109.355 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -102.17 -114.51 0.2 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 118.95 -1.1 . . . . 0.0 108.682 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm . . . . . 0 C--O 1.249 1.07 0 C-N-CA 118.77 -1.172 . . . . 0.0 109.079 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 121.654 0.74 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.0 p -129.97 134.23 47.31 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.587 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t -81.92 121.75 35.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.299 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.573 ' HB3' ' HZ1' ' A' ' 4' ' ' LYS . 9.3 mtpm? -106.51 81.55 1.61 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.255 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -84.38 134.11 34.49 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 118.899 -1.12 . . . . 0.0 108.954 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.615 ' HZ3' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -126.39 175.75 7.63 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.442 -178.85 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -137.04 -80.01 0.39 Allowed 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.464 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.587 ' HB2' ' HZ2' ' A' ' 8' ' ' LYS . 4.5 ttmp? -110.92 -76.13 0.61 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.489 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.97 37.03 2.06 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 119.059 -1.543 . . . . 0.0 109.971 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -147.29 109.56 4.54 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.81 -1.156 . . . . 0.0 109.08 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.22 149.46 23.84 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.056 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -133.99 148.29 51.1 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.413 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -116.27 156.92 25.77 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.31 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -159.69 133.16 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 118.749 -1.181 . . . . 0.0 108.799 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.873 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 7.5 m-20 -87.74 154.63 20.41 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.21 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.61 -42.15 94.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.479 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -88.8 4.89 46.06 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 118.777 -1.169 . . . . 0.0 110.465 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.873 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 6.2 tmtt? -91.34 -19.32 23.06 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.002 -1.079 . . . . 0.0 108.538 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.6 mt -69.48 128.51 33.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 118.884 -1.126 . . . . 0.0 108.707 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.741 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 59.2 mtpt -123.6 137.7 54.69 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 118.884 -1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.741 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 28.6 mtpp 76.21 132.8 0.05 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.24 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -162.52 137.6 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 118.686 -1.206 . . . . 0.0 108.734 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -144.76 130.58 19.17 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.824 -1.15 . . . . 0.0 108.989 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -95.63 127.21 41.47 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.024 -1.071 . . . . 0.0 110.135 -175.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.6 p -164.3 130.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.49 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.9 -154.48 29.3 Favored Glycine 0 C--N 1.319 -0.373 0 C-N-CA 118.746 -1.692 . . . . 0.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -83.15 -77.24 0.25 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.908 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.459 ' N ' ' SD ' ' A' ' 28' ' ' MET . 2.1 mpt? -69.68 141.82 53.5 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.201 -175.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.3 mm -87.71 131.43 35.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 118.947 -1.101 . . . . 0.0 108.849 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 m -97.05 164.55 12.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.711 -178.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -166.68 173.3 9.77 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.095 -1.042 . . . . 0.0 108.625 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.3 p -127.75 95.07 4.11 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.869 -1.132 . . . . 0.0 109.407 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -78.32 131.79 37.17 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.236 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -92.25 124.09 36.07 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.772 -1.171 . . . . 0.0 110.796 -173.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -137.71 -59.07 0.67 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 122.107 0.956 . . . . 0.0 108.55 175.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.13 -42.74 94.27 Favored Glycine 0 C--N 1.317 -0.507 0 C-N-CA 119.195 -1.479 . . . . 0.0 110.609 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.89 -68.49 2.0 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 118.862 -1.637 . . . . 0.0 109.02 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.73 -25.97 43.98 Favored Glycine 0 C--N 1.32 -0.36 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 174.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -117.57 64.31 0.74 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.296 -0.962 . . . . 0.0 108.551 176.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.6 m -59.68 132.36 53.72 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.677 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.51 137.95 14.19 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 118.809 -1.663 . . . . 0.0 110.324 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -110.14 144.51 38.67 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.01 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.73 -171.96 20.06 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 118.813 -1.66 . . . . 0.0 109.983 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.89 159.04 23.29 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.525 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -161.44 140.83 2.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 118.859 -1.136 . . . . 0.0 108.356 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -62.9 147.18 51.05 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.503 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -97.72 9.05 43.57 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.111 -1.036 . . . . 0.0 110.073 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -80.78 -26.27 37.34 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.656 -1.218 . . . . 0.0 109.64 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -128.54 30.7 5.11 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.56 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.43 157.55 58.55 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 118.821 -1.151 . . . . 0.0 108.32 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -49.79 155.13 4.22 Favored 'Trans proline' 0 C--N 1.329 -0.478 0 C-N-CA 121.52 1.48 . . . . 0.0 112.182 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -79.22 -16.97 55.7 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.862 -1.135 . . . . 0.0 110.675 -174.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.92 -32.17 72.45 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 118.891 -1.123 . . . . 0.0 109.998 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.5 mt -75.51 -28.71 59.25 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.666 -1.214 . . . . 0.0 109.609 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.24 -35.46 68.84 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.301 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -85.15 -14.16 47.87 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.853 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.5 tpp -83.75 -17.75 40.13 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.137 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.996 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 82.9 mt -131.77 89.66 2.73 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.996 ' CG ' ' HA ' ' A' ' 58' ' ' LEU . 46.6 mt-10 -158.97 158.64 33.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 120.123 -1.611 . . . . 0.0 107.784 -0.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -113.36 123.06 49.22 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 172.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -125.39 85.28 2.38 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.936 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? . . . . . 0 C--O 1.249 1.078 0 C-N-CA 118.659 -1.216 . . . . 0.0 108.238 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.1 p -129.48 164.22 24.19 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 81.8 t -124.78 125.04 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -78.07 147.61 34.65 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.731 -1.187 . . . . 0.0 108.882 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -160.91 76.75 0.56 Allowed 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.707 -1.197 . . . . 0.0 109.134 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 20.1 ptpt -77.76 128.01 33.34 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.769 -1.173 . . . . 0.0 109.199 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -77.24 -57.25 3.94 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.67 -1.212 . . . . 0.0 108.784 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -136.62 -98.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.05 20.09 44.37 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.073 -1.061 . . . . 0.0 110.825 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -130.22 111.05 12.04 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.56 138.71 51.16 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 118.735 -1.186 . . . . 0.0 109.435 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -135.19 152.65 51.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -130.87 144.15 51.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.66 135.36 63.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -84.82 146.36 27.38 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.718 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mp -78.35 -29.63 15.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.415 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.3 m -82.09 -21.53 36.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.893 -175.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -85.37 -15.8 41.96 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.815 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.5 mt -78.5 96.32 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -85.15 -54.74 4.43 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.42 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 1.172 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 75.7 mmtt -71.19 125.66 27.51 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.837 -1.145 . . . . 0.0 108.776 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -160.16 132.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.788 -1.165 . . . . 0.0 108.65 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -153.13 130.73 11.49 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.201 -0.999 . . . . 0.0 108.815 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -81.71 128.04 33.56 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.926 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.9 p -160.36 131.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 118.896 -1.121 . . . . 0.0 108.485 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.45 -164.27 52.67 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 118.657 -1.735 . . . . 0.0 110.003 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -50.32 10.55 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.481 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -77.45 124.37 27.8 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.708 -1.197 . . . . 0.0 109.193 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.8 mm -78.12 116.79 22.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 118.927 -1.109 . . . . 0.0 108.129 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.0 m -80.25 158.65 26.14 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.936 -1.106 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -161.72 167.6 24.74 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 118.798 -1.161 . . . . 0.0 108.977 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 1.172 ' OG1' ' HB2' ' A' ' 21' ' ' LYS . 44.7 p -129.11 92.68 3.43 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -76.46 128.95 35.8 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 118.861 -1.136 . . . . 0.0 109.112 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -80.21 123.01 27.55 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.403 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -162.27 81.0 0.53 Allowed 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.712 -1.195 . . . . 0.0 108.554 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.19 -33.49 0.38 Allowed Glycine 0 CA--C 1.52 0.406 0 C-N-CA 118.7 -1.714 . . . . 0.0 109.945 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.5 30.7 48.3 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 118.715 -1.707 . . . . 0.0 109.869 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.31 -36.5 0.4 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.76 -1.686 . . . . 0.0 109.825 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.43 -49.28 13.76 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.141 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.7 m 59.23 96.78 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.976 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.606 ' C ' ' HG3' ' A' ' 42' ' ' ARG . . . -70.01 174.96 36.0 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 118.738 -1.696 . . . . 0.0 110.126 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.606 ' HG3' ' C ' ' A' ' 41' ' ' GLY . 79.7 mtp180 -159.39 143.98 15.34 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.319 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.92 -150.15 5.81 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 118.828 -1.653 . . . . 0.0 109.788 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.81 175.21 11.5 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.63 -1.228 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.1 p -159.76 132.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 118.78 -1.168 . . . . 0.0 108.524 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.7 m -70.25 164.03 25.19 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.425 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -102.55 37.2 1.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.375 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -79.41 -30.58 42.46 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.214 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.41 74.18 0.61 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.866 -1.134 . . . . 0.0 108.989 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.4 162.12 67.41 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -61.82 166.87 11.24 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 CA-C-N 122.47 1.918 . . . . 0.0 112.609 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -81.61 -25.75 35.45 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.874 -1.13 . . . . 0.0 109.983 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -82.58 -22.82 34.71 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.103 -1.039 . . . . 0.0 110.108 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 tt -77.3 -32.51 55.44 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.933 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.594 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 91.5 mt -77.09 -31.57 56.02 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.734 -1.187 . . . . 0.0 109.504 -177.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -80.76 -26.96 36.92 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.642 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.6 tpp -71.28 -53.65 13.55 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.627 -1.229 . . . . 0.0 109.306 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.1 mt -75.82 -52.32 10.64 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 118.605 -1.238 . . . . 0.0 108.871 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.594 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 52.0 mt-10 . . . . . 0 C--N 1.322 -0.628 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.467 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 121.674 0.75 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.9 p -122.97 162.59 22.02 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.121 -1.031 . . . . 0.0 108.936 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.0 t -104.36 120.86 55.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.032 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 23.9 tptp -70.56 141.51 51.83 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.501 -1.279 . . . . 0.0 109.149 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -156.32 97.74 1.79 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.528 -1.269 . . . . 0.0 109.668 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -80.01 132.28 35.97 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.111 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.721 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 53.1 t80 -91.81 -87.88 0.2 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.721 -1.192 . . . . 0.0 108.565 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.721 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 14.3 mmmm -115.04 -70.7 0.78 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.147 -1.021 . . . . 0.0 108.459 176.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.14 35.77 2.31 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 119.157 -1.497 . . . . 0.0 109.534 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -145.0 142.4 29.77 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.481 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.74 144.77 28.3 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.67 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.4 tp -152.08 100.45 2.63 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 118.597 -1.241 . . . . 0.0 108.846 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -91.45 110.63 21.94 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.79 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 m -88.02 176.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 118.939 -1.104 . . . . 0.0 108.636 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -121.06 152.06 39.09 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.454 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.76 -36.57 59.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 119.198 -1.001 . . . . 0.0 109.296 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.3 t -86.69 2.37 48.79 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.766 -1.174 . . . . 0.0 111.015 -173.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.624 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 24.3 ttmm -102.16 3.5 38.51 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.76 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.7 mt -89.18 123.67 41.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.965 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 87.1 tttt -116.5 148.07 41.16 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.958 -1.097 . . . . 0.0 108.859 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.972 ' HG3' ' HZ3' ' A' ' 23' ' ' TRP . 4.0 tppp? 67.25 93.25 0.07 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 118.569 -1.252 . . . . 0.0 108.717 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.82 138.87 52.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.023 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.972 ' HZ3' ' HG3' ' A' ' 21' ' ' LYS . 44.2 p90 -153.09 127.68 9.38 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.71 -1.196 . . . . 0.0 109.125 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -97.24 127.37 43.14 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.129 -1.029 . . . . 0.0 109.872 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.3 p -163.5 131.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 118.969 -1.093 . . . . 0.0 108.498 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.68 -145.87 18.16 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 118.757 -1.687 . . . . 0.0 110.016 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -94.41 -69.01 0.77 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.955 -1.098 . . . . 0.0 108.589 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.0 mtp -72.31 176.39 5.32 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.671 -1.212 . . . . 0.0 109.15 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -116.55 130.31 71.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 119.127 -1.029 . . . . 0.0 108.552 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.9 m -100.68 158.77 15.71 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.3 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -166.0 170.2 13.85 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.845 -1.142 . . . . 0.0 109.482 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.438 ' OG1' ' HB3' ' A' ' 21' ' ' LYS . 69.4 p -124.64 87.96 2.81 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.233 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -68.36 134.72 50.69 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.519 -1.273 . . . . 0.0 108.065 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -82.77 122.03 27.66 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 118.382 -1.327 . . . . 0.0 110.107 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -163.64 67.3 0.18 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.04 -52.43 0.08 OUTLIER Glycine 0 CA--C 1.521 0.409 0 C-N-CA 118.546 -1.787 . . . . 0.0 110.377 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.16 -52.75 1.07 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 119.023 -1.561 . . . . 0.0 109.392 -176.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 39' ' ' LYS . . . -129.09 41.44 1.55 Allowed Glycine 0 C--N 1.319 -0.374 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.638 ' HB3' ' O ' ' A' ' 38' ' ' GLY . 14.0 ptmm? 168.18 63.25 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 118.993 -1.083 . . . . 0.0 109.011 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.3 p -63.48 167.42 5.54 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.061 -1.056 . . . . 0.0 109.42 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.57 135.99 12.81 Favored Glycine 0 N--CA 1.461 0.352 0 C-N-CA 118.867 -1.635 . . . . 0.0 110.113 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -96.95 139.97 32.18 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 118.979 -1.088 . . . . 0.0 108.768 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.13 -171.02 15.89 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 118.879 -1.629 . . . . 0.0 109.795 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.17 160.52 24.25 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.622 -1.231 . . . . 0.0 109.562 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 p -155.83 136.09 4.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 118.911 -1.116 . . . . 0.0 108.282 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.7 m -66.78 152.54 45.34 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 118.751 -1.18 . . . . 0.0 109.382 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -97.78 43.69 1.06 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.003 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -83.62 -22.75 32.12 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 118.802 -1.159 . . . . 0.0 108.937 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -160.3 57.14 0.35 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.833 -1.147 . . . . 0.0 108.599 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.82 153.58 55.1 Favored Pre-proline 0 C--N 1.321 -0.668 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.786 -178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -52.92 158.43 6.49 Favored 'Trans proline' 0 C--N 1.327 -0.595 0 C-N-CA 121.527 1.485 . . . . 0.0 112.007 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -79.66 -16.98 54.74 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.827 -1.149 . . . . 0.0 110.361 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -64.91 -34.26 77.97 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.275 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.04 -34.12 66.12 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.568 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 83.5 mt -75.61 -32.72 60.4 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.165 -1.414 . . . . 0.0 109.493 -176.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -81.07 -18.82 45.3 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 118.392 -1.323 . . . . 0.0 110.187 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -76.82 -32.5 57.64 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 118.504 -1.278 . . . . 0.0 109.068 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -108.46 21.57 17.13 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 118.206 -1.398 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 46.5 mt-10 . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 121.781 0.801 . . . . 0.0 109.181 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 t -163.51 160.2 22.92 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.648 -1.221 . . . . 0.0 109.583 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -158.04 130.49 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 119.002 -1.079 . . . . 0.0 108.346 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -91.17 103.93 16.55 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.723 -1.191 . . . . 0.0 109.231 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -82.66 85.18 7.06 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.898 -1.121 . . . . 0.0 108.385 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.6 143.94 53.14 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.781 -1.168 . . . . 0.0 110.08 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -140.45 151.18 44.66 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 175.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -67.1 -25.45 66.22 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.645 -1.222 . . . . 0.0 110.311 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.03 -39.49 23.6 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 118.702 -1.713 . . . . 0.0 110.722 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -167.49 134.13 2.21 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.438 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.7 144.51 50.98 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.719 -1.192 . . . . 0.0 109.123 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -133.46 169.96 16.19 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.802 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -144.49 100.18 3.49 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.78 133.79 42.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.524 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -87.48 151.25 23.19 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.794 -1.162 . . . . 0.0 109.179 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.9 mm -79.94 -23.3 11.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.478 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -89.55 3.22 53.19 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.831 -1.147 . . . . 0.0 110.905 -175.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -113.11 15.69 19.43 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 118.911 -1.115 . . . . 0.0 109.423 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.8 mt -120.59 114.94 45.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 118.924 -1.111 . . . . 0.0 108.622 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -76.8 -76.89 0.15 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 118.634 -1.226 . . . . 0.0 108.001 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.628 ' HA ' HG22 ' A' ' 22' ' ' VAL . 59.4 mtmt -109.82 135.77 50.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 176.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.628 HG22 ' HA ' ' A' ' 21' ' ' LYS 0.39 1.9 m 56.61 95.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 123.762 2.983 . . . . 0.0 114.462 7.272 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.6 p90 -163.29 131.88 3.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.399 -1.273 . . . . 0.0 107.607 171.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.24 133.26 34.09 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.641 -1.224 . . . . 0.0 109.841 -171.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.66 -19.58 3.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.62 -130.32 1.21 Allowed Glycine 0 C--N 1.317 -0.474 0 C-N-CA 118.929 -1.605 . . . . 0.0 110.169 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -90.76 -32.03 16.29 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.658 -1.217 . . . . 0.0 110.686 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.6 mtt -87.98 133.72 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 118.613 -1.235 . . . . 0.0 108.369 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.46 119.78 35.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 118.61 -1.236 . . . . 0.0 108.733 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 t -90.55 153.55 20.27 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.88 -1.128 . . . . 0.0 108.461 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -161.81 149.24 14.46 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.209 -1.396 . . . . 0.0 109.64 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.415 HG22 ' HG2' ' A' ' 42' ' ' ARG . 71.0 p -123.74 104.17 8.82 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -89.22 160.8 16.77 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.921 -1.111 . . . . 0.0 108.519 177.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -95.08 121.0 36.26 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.678 -1.209 . . . . 0.0 110.331 -175.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -166.19 84.2 0.3 Allowed 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.216 -0.994 . . . . 0.0 108.551 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.02 -45.11 0.18 Allowed Glycine 0 CA--C 1.52 0.384 0 C-N-CA 118.376 -1.869 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.68 45.39 76.49 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 108.458 -1.857 . . . . 0.0 108.458 -174.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.72 -30.21 2.51 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -174.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -123.4 75.29 1.31 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.9 m -65.1 134.61 54.16 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.211 -0.996 . . . . 0.0 109.427 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.94 156.02 43.42 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 118.713 -1.708 . . . . 0.0 110.114 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.415 ' HG2' HG22 ' A' ' 32' ' ' THR . 84.1 mtm180 -150.23 140.41 22.16 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.095 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.76 -157.73 9.05 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 118.741 -1.695 . . . . 0.0 109.996 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.76 174.06 13.74 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.365 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.9 p -156.67 134.83 2.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.294 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.3 p -67.62 148.62 51.15 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.731 -1.187 . . . . 0.0 109.819 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -83.67 -15.8 47.48 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.577 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.34 -31.81 71.47 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.883 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -128.71 65.01 1.43 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.963 -1.095 . . . . 0.0 109.346 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.18 150.99 52.52 Favored Pre-proline 0 C--N 1.321 -0.642 0 C-N-CA 118.934 -1.107 . . . . 0.0 108.71 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.26 143.11 54.3 Favored 'Trans proline' 0 C--N 1.328 -0.549 0 C-N-CA 121.528 1.485 . . . . 0.0 111.532 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -81.27 -20.31 41.16 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.369 -175.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.5 -19.14 61.0 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.779 -1.168 . . . . 0.0 110.346 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 54' ' ' LEU . 5.4 tt -86.29 -30.04 22.6 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.104 -1.038 . . . . 0.0 108.268 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.14 -13.79 56.67 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.767 -1.173 . . . . 0.0 110.696 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -78.34 -21.48 49.47 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.586 -1.246 . . . . 0.0 109.569 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.5 tpp -73.9 -25.84 60.22 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.631 -1.227 . . . . 0.0 108.876 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.891 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 87.4 mt -132.95 87.1 2.37 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.891 ' CG ' ' HA ' ' A' ' 58' ' ' LEU . 43.4 mt-10 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 120.349 -1.47 . . . . 0.0 107.709 -1.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 121.716 0.77 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.9 p -127.91 132.73 49.27 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.713 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.9 t -93.33 120.13 42.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 118.836 -1.146 . . . . 0.0 108.528 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -79.78 92.56 5.46 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.728 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -85.87 78.32 9.53 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.472 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -73.16 148.64 43.65 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.911 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -151.24 152.05 32.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -67.01 -27.72 67.65 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.869 -1.132 . . . . 0.0 110.228 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.627 ' O ' ' HB2' ' A' ' 10' ' ' GLU . . . -74.09 -29.14 63.07 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 118.824 -1.655 . . . . 0.0 110.655 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.627 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 42.1 tt0 174.61 136.33 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.433 -1.307 . . . . 0.0 109.471 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -76.81 133.95 39.23 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 118.877 -1.129 . . . . 0.0 108.9 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.34 146.98 51.81 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.612 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -120.4 101.06 7.53 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.089 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.26 177.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.841 -1.144 . . . . 0.0 109.004 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -125.87 147.55 49.43 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.087 -1.045 . . . . 0.0 108.841 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.9 pp -82.39 -13.89 12.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 118.924 -1.11 . . . . 0.0 110.004 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.5 t -93.88 -6.02 46.65 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.646 -1.222 . . . . 0.0 110.213 -176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -103.54 11.93 35.67 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.849 -1.14 . . . . 0.0 109.628 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.9 mt -94.01 98.94 8.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 118.811 -1.156 . . . . 0.0 108.623 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -91.24 -74.99 0.48 Allowed 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.447 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -74.28 141.41 45.3 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.551 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -159.63 137.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 118.815 -1.154 . . . . 0.0 108.733 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 38.4 p90 -152.37 134.93 15.3 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.273 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' H ' ' HD2' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -91.01 145.81 24.39 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.629 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.1 t -118.01 -21.5 4.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.108 -1.037 . . . . 0.0 108.897 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.84 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . 131.71 111.08 1.33 Allowed Glycine 0 C--N 1.318 -0.444 0 C-N-CA 119.12 -1.514 . . . . 0.0 110.342 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.84 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 3.9 tmtp? 102.86 -50.05 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.856 -1.138 . . . . 0.0 108.772 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 60.5 mtt -132.34 172.07 12.92 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.077 -1.049 . . . . 0.0 108.883 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mm -114.23 115.12 48.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.69 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.4 t -80.64 154.61 27.28 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 118.757 -1.177 . . . . 0.0 109.02 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -162.36 158.8 24.52 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.562 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -123.04 88.37 2.92 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.192 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -76.46 135.48 39.39 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 118.594 -1.242 . . . . 0.0 108.259 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -84.17 122.05 28.31 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.527 -1.269 . . . . 0.0 109.865 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -164.37 78.58 0.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.416 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.16 -44.04 0.07 OUTLIER Glycine 0 CA--C 1.519 0.313 0 C-N-CA 118.586 -1.768 . . . . 0.0 110.311 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.33 39.98 80.89 Favored Glycine 0 C--N 1.319 -0.367 0 C-N-CA 118.654 -1.736 . . . . 0.0 109.482 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.92 -17.41 1.21 Allowed Glycine 0 CA--C 1.52 0.368 0 N-CA-C 108.824 -1.71 . . . . 0.0 108.824 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -153.68 77.6 1.11 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.093 -1.043 . . . . 0.0 108.323 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.4 t -64.56 160.57 19.25 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.701 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.69 133.91 11.89 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 118.998 -1.573 . . . . 0.0 110.398 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -105.0 143.02 33.76 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.808 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.78 -169.74 19.74 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 118.657 -1.735 . . . . 0.0 110.009 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.09 160.67 33.35 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.314 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 p -161.05 136.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.844 -1.142 . . . . 0.0 108.422 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.1 p -67.18 149.88 49.88 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.699 -1.2 . . . . 0.0 109.25 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -98.88 21.58 11.35 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.071 -1.051 . . . . 0.0 109.948 -178.635 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -80.42 -24.16 39.83 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.394 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -141.79 67.38 1.33 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.965 -1.094 . . . . 0.0 108.771 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -110.36 157.11 39.05 Favored Pre-proline 0 C--N 1.322 -0.63 0 C-N-CA 119.203 -0.999 . . . . 0.0 108.429 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -51.01 159.68 2.38 Favored 'Trans proline' 0 C--N 1.328 -0.525 0 C-N-CA 121.518 1.478 . . . . 0.0 112.106 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -69.14 -28.16 66.2 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.008 -1.077 . . . . 0.0 111.124 -174.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -62.13 -38.62 89.65 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.016 -1.074 . . . . 0.0 110.544 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -79.82 -23.37 42.1 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.592 -1.243 . . . . 0.0 110.044 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.81 -28.0 50.2 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.578 -1.249 . . . . 0.0 109.718 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -82.76 -12.85 57.21 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.763 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.2 tpp -81.33 -24.43 37.14 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.095 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.4 mt -120.83 47.5 1.8 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.932 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 C--N 1.321 -0.669 0 C-N-CA 118.904 -1.119 . . . . 0.0 108.48 178.821 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 121.677 0.751 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.0 p -127.34 168.63 14.54 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.223 -0.991 . . . . 0.0 108.661 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.72 129.81 18.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.762 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.713 ' HG2' ' H ' ' A' ' 5' ' ' PHE . 39.4 ttmt -82.38 175.32 10.34 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.755 -1.178 . . . . 0.0 110.271 -176.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.713 ' H ' ' HG2' ' A' ' 4' ' ' LYS . 53.2 t80 -164.63 86.03 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.838 -1.145 . . . . 0.0 108.932 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -77.92 130.68 36.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.632 -1.227 . . . . 0.0 109.591 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.489 ' CD2' ' HG3' ' A' ' 8' ' ' LYS . 40.0 t80 -85.39 -80.86 0.21 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 118.872 -1.131 . . . . 0.0 108.325 177.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.489 ' HG3' ' CD2' ' A' ' 7' ' ' TYR . 28.7 mtpp -114.95 -69.44 0.86 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.014 -1.074 . . . . 0.0 108.796 174.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.98 29.68 3.88 Favored Glycine 0 N--CA 1.462 0.38 0 C-N-CA 119.1 -1.524 . . . . 0.0 109.847 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -127.79 -171.73 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.161 -1.016 . . . . 0.0 108.922 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -149.26 135.97 19.54 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.443 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.8 mt -137.01 122.24 19.25 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -92.55 162.7 14.09 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.944 -1.103 . . . . 0.0 109.469 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -157.91 132.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 118.903 -1.119 . . . . 0.0 108.757 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -92.0 153.61 19.33 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.832 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mp -65.9 -31.45 53.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 119.455 -0.898 . . . . 0.0 108.983 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 m -72.63 -25.43 61.29 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 118.841 -1.144 . . . . 0.0 111.193 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -82.8 -18.74 39.46 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 118.43 -1.308 . . . . 0.0 110.465 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.9 mt -70.32 108.7 2.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 C-N-CA 118.349 -1.34 . . . . 0.0 108.187 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -93.88 -89.17 0.22 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.903 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -68.66 144.32 54.5 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.855 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.5 135.78 6.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 118.928 -1.109 . . . . 0.0 108.71 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -144.39 169.1 18.58 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.857 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -145.79 85.47 1.7 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.626 -1.229 . . . . 0.0 110.071 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -127.8 82.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 174.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.66 -146.23 12.19 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 118.615 -1.755 . . . . 0.0 110.027 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -89.91 -68.42 0.78 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.468 -178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 59.8 mtt -90.03 165.33 14.09 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.061 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.0 mt -90.34 125.52 43.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 118.927 -1.109 . . . . 0.0 108.867 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.7 t -95.06 162.53 13.68 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.045 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -161.88 170.79 18.82 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.979 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.4 p -125.05 98.83 5.84 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.951 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -79.85 146.26 32.31 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 118.823 -1.151 . . . . 0.0 108.063 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -100.46 90.3 4.25 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.721 -1.192 . . . . 0.0 110.107 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -133.65 81.86 1.95 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.249 -0.981 . . . . 0.0 108.567 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.88 -42.79 0.03 OUTLIER Glycine 0 C--N 1.319 -0.374 0 C-N-CA 118.495 -1.812 . . . . 0.0 110.427 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.68 40.62 90.19 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 118.589 -1.767 . . . . 0.0 108.958 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 137.37 -5.95 3.57 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 -175.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -148.48 76.9 1.38 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.103 -1.039 . . . . 0.0 108.52 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.4 m -64.54 129.73 40.98 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.275 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.13 145.64 17.78 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 118.831 -1.652 . . . . 0.0 110.291 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -113.02 143.02 45.02 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.99 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.41 -167.84 14.82 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 118.812 -1.661 . . . . 0.0 109.786 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.56 164.45 31.99 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 118.601 -1.24 . . . . 0.0 109.431 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.6 p -161.63 136.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.29 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.9 m -67.77 151.94 46.4 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.392 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -98.57 15.91 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.056 -1.057 . . . . 0.0 110.395 -176.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 4.4 ttmp? -95.18 3.79 54.29 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.698 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -159.28 47.34 0.3 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.046 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.06 156.29 42.09 Favored Pre-proline 0 C--N 1.321 -0.643 0 C-N-CA 119.072 -1.051 . . . . 0.0 108.577 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.22 157.55 4.29 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 121.619 1.546 . . . . 0.0 112.028 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -81.83 -10.72 59.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 118.914 -1.115 . . . . 0.0 110.99 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.7 -35.56 81.11 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.657 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -78.93 -25.79 43.68 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.636 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -79.65 -24.13 42.05 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.641 -1.224 . . . . 0.0 109.986 -177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -79.02 -17.72 54.84 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.774 -1.17 . . . . 0.0 109.714 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.0 ttt -66.15 -40.55 90.64 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.894 -1.122 . . . . 0.0 109.849 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.3 mt -99.28 -22.74 15.46 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.17 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 C--N 1.321 -0.665 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.192 -179.689 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 121.895 0.855 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.3 t -158.04 156.4 31.02 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.129 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.7 t -122.21 127.45 75.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.103 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -76.57 94.07 3.68 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.725 -1.19 . . . . 0.0 108.911 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -98.21 82.84 2.99 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.889 -175.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -172.13 2.96 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.651 -1.22 . . . . 0.0 108.715 176.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.485 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 51.6 t80 -143.94 -89.44 0.12 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.699 -1.201 . . . . 0.0 109.021 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 7.0 mmpt? -103.42 -76.68 0.58 Allowed 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.698 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.53 30.42 4.03 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 119.199 -1.477 . . . . 0.0 109.553 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -123.68 -175.13 3.14 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.91 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -147.53 132.82 18.46 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.871 -1.132 . . . . 0.0 108.998 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.39 174.44 9.86 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.104 -1.038 . . . . 0.0 108.216 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -151.34 94.31 2.01 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.285 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -74.61 178.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.885 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -133.9 161.47 34.67 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.748 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.0 tp -80.18 -17.35 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 118.952 -1.099 . . . . 0.0 111.078 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -95.42 -20.33 19.17 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.542 -1.263 . . . . 0.0 111.423 -171.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.652 ' HD3' ' HB3' ' A' ' 34' ' ' ASP . 24.6 ttmm -93.33 -2.14 55.2 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.52 -1.272 . . . . 0.0 110.742 -173.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.6 mt -71.69 118.39 16.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 118.305 -1.358 . . . . 0.0 108.294 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -92.88 -102.95 0.12 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.874 -1.131 . . . . 0.0 110.017 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -74.62 144.17 44.02 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.781 -1.168 . . . . 0.0 110.262 -174.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -150.91 136.89 12.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.7 p90 -143.52 167.95 21.0 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.839 -1.144 . . . . 0.0 109.733 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.718 ' HG2' ' CD1' ' A' ' 29' ' ' ILE . 4.4 tmt_? -138.85 120.69 15.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -159.01 35.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.825 1.298 . . . . 0.0 108.303 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.08 -143.96 4.32 Favored Glycine 0 C--N 1.319 -0.395 0 C-N-CA 118.739 -1.696 . . . . 0.0 110.124 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -84.07 -73.91 0.4 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 118.921 -1.111 . . . . 0.0 109.339 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.9 mtt -82.82 155.39 24.21 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.728 -1.189 . . . . 0.0 109.355 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.718 ' CD1' ' HG2' ' A' ' 24' ' ' ARG . 49.6 mm -89.96 127.21 42.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.044 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.6 t -94.25 161.85 14.09 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.36 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -162.77 162.76 26.82 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.996 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.7 p -123.4 91.05 3.39 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.94 -1.104 . . . . 0.0 109.269 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -76.71 144.81 39.08 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.763 -1.175 . . . . 0.0 108.41 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.652 ' HB3' ' HD3' ' A' ' 18' ' ' LYS . 34.3 t70 -82.21 137.49 34.89 Favored 'General case' 0 C--N 1.319 -0.717 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.616 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -164.1 89.08 0.54 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.131 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.94 -37.02 2.23 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 118.935 -1.602 . . . . 0.0 110.185 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.09 48.47 19.89 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 118.617 -1.754 . . . . 0.0 109.725 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.72 -15.39 0.15 Allowed Glycine 0 CA--C 1.52 0.362 0 C-N-CA 118.773 -1.679 . . . . 0.0 109.769 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -115.44 -39.72 3.53 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.171 -1.011 . . . . 0.0 108.867 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 m 57.79 98.38 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.075 0.941 . . . . 0.0 110.343 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.78 152.71 49.36 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 118.671 -1.728 . . . . 0.0 110.048 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -133.79 122.78 23.77 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.113 -1.035 . . . . 0.0 109.219 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.89 -161.67 9.52 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 119.046 -1.55 . . . . 0.0 109.514 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.84 167.22 23.1 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 118.573 -1.251 . . . . 0.0 109.538 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 p -160.25 135.66 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.302 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -66.61 145.71 55.3 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.681 -1.208 . . . . 0.0 108.925 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -100.98 36.36 1.98 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.938 -1.105 . . . . 0.0 109.254 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -82.6 -23.37 34.41 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.896 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -151.03 61.31 0.91 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.975 -1.09 . . . . 0.0 108.458 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 154.53 64.59 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 118.877 -1.129 . . . . 0.0 108.551 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.92 147.03 10.86 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 C-N-CA 121.503 1.469 . . . . 0.0 111.333 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -74.93 -23.88 58.4 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.59 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.28 -31.2 70.49 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.234 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 54' ' ' LEU . 2.6 tt -77.03 -29.68 55.41 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.736 -1.185 . . . . 0.0 108.51 -178.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.2 -30.74 63.73 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.661 -1.216 . . . . 0.0 110.099 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -86.09 -5.29 59.24 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.669 -1.212 . . . . 0.0 110.055 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 ttt -91.39 -27.85 18.06 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.844 -1.143 . . . . 0.0 110.139 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.97 24.51 8.25 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.522 -1.271 . . . . 0.0 110.299 -174.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 . . . . . 0 C--N 1.322 -0.619 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.124 177.737 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.515 0 CA-C-O 121.661 0.743 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.2 p -129.64 138.08 51.02 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.815 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.8 t -89.4 125.57 42.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 118.787 -1.165 . . . . 0.0 108.335 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -115.04 94.75 4.88 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.066 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -91.36 135.54 33.75 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.017 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -107.43 -173.93 2.41 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.146 -1.022 . . . . 0.0 109.403 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -144.92 -81.28 0.16 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.967 -1.093 . . . . 0.0 109.076 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.61 -78.08 0.59 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.962 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.09 24.92 5.0 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 119.042 -1.551 . . . . 0.0 110.093 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -127.43 177.68 6.58 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.45 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 134.91 13.72 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.694 -1.203 . . . . 0.0 109.592 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 mp -118.85 168.05 11.13 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.38 133.78 26.41 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.993 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -128.15 146.16 34.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.214 -0.995 . . . . 0.0 109.296 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.406 ' HB3' ' CB ' ' A' ' 18' ' ' LYS . 23.7 t0 -87.11 145.33 26.48 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.026 -1.069 . . . . 0.0 109.045 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -72.27 -34.98 51.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.653 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -85.23 -4.97 59.34 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.685 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 24.4 ttmm -93.86 0.83 56.4 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.976 -1.09 . . . . 0.0 110.152 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.1 mt -82.22 127.4 39.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 C-N-CA 118.679 -1.209 . . . . 0.0 108.886 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -125.81 154.28 42.84 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.895 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm 57.27 93.32 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.803 0.811 . . . . 0.0 110.379 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.23 148.1 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.009 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.0 p90 -151.92 146.67 25.81 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.738 -1.185 . . . . 0.0 109.018 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -114.21 121.21 43.02 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.076 -1.049 . . . . 0.0 110.14 -175.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 m -130.36 -172.6 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 175.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.841 ' O ' ' HB2' ' A' ' 27' ' ' LYS . . . -79.32 88.64 1.2 Allowed Glycine 0 CA--C 1.521 0.419 0 C-N-CA 118.724 -1.703 . . . . 0.0 110.334 -179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.841 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 62.0 tttm 154.0 73.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.539 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.8 mmt 60.08 -177.29 0.1 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.914 0.864 . . . . 0.0 110.405 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.2 mm -107.11 121.05 59.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.615 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.5 p -101.86 159.96 14.89 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.147 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -165.24 168.95 16.51 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 118.734 -1.187 . . . . 0.0 109.484 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.504 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 68.4 p -126.4 89.64 3.04 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.134 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -69.6 143.84 53.18 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 118.528 -1.269 . . . . 0.0 108.587 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -86.86 138.25 31.73 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.559 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -165.51 76.46 0.25 Allowed 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 119.08 -1.048 . . . . 0.0 108.472 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 153.3 -35.33 0.76 Allowed Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.803 -1.665 . . . . 0.0 109.898 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.94 -14.96 57.17 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 118.985 -1.578 . . . . 0.0 110.019 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.13 37.61 0.26 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.78 -1.676 . . . . 0.0 110.024 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -147.06 -40.06 0.19 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.3 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.0 p 53.0 -168.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.111 0.958 . . . . 0.0 110.731 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 32' ' ' THR . . . -157.93 135.18 4.2 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.787 -1.673 . . . . 0.0 109.951 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -97.75 146.62 25.2 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.998 -1.081 . . . . 0.0 109.197 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.6 -173.73 30.61 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 118.794 -1.67 . . . . 0.0 109.755 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.42 153.7 17.89 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 118.606 -1.238 . . . . 0.0 109.47 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 p -161.91 136.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 C-N-CA 118.821 -1.152 . . . . 0.0 108.416 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.9 p -65.5 150.45 48.36 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.486 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -89.85 -1.83 58.07 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.133 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -76.29 -28.58 57.05 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.741 -1.183 . . . . 0.0 109.314 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.53 47.46 0.88 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.715 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.36 154.69 43.61 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.91 166.64 29.45 Favored 'Trans proline' 0 C--N 1.326 -0.612 0 C-N-CA 121.235 1.29 . . . . 0.0 109.737 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -27.25 61.19 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.936 -1.106 . . . . 0.0 110.377 -174.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -68.43 -32.77 73.05 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 118.738 -1.185 . . . . 0.0 110.423 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 54' ' ' LEU . 4.1 tt -78.8 -33.33 46.29 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 118.548 -1.261 . . . . 0.0 108.587 -177.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -81.27 -24.29 37.39 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.611 -1.236 . . . . 0.0 110.277 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -97.22 23.13 7.74 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.769 -1.172 . . . . 0.0 109.419 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.4 tpp -116.79 -24.12 7.83 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.084 -1.046 . . . . 0.0 109.187 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -127.3 -26.71 3.03 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.669 -1.212 . . . . 0.0 111.278 -176.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 C--N 1.321 -0.632 0 C-N-CA 118.459 -1.296 . . . . 0.0 110.875 -173.372 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.572 0 CA-C-O 121.726 0.774 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.8 p -126.95 151.92 47.86 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.754 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.8 t -120.68 128.36 76.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.38 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -90.59 113.39 25.39 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.335 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -98.75 102.14 13.78 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.106 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.677 ' HG2' ' H ' ' A' ' 8' ' ' LYS . 41.0 ttmt -88.48 141.76 28.27 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.963 -1.095 . . . . 0.0 109.666 -178.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 1.267 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 68.3 t80 -127.03 18.64 7.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.247 1.022 . . . . 0.0 108.521 178.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 1.267 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 25.5 pttm 60.86 26.88 16.72 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.708 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.55 -50.7 0.02 OUTLIER Glycine 0 CA--C 1.521 0.46 0 C-N-CA 119.103 -1.522 . . . . 0.0 109.689 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -148.83 136.4 20.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.232 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.36 101.95 10.14 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.691 -1.204 . . . . 0.0 109.372 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.5 109.83 20.97 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.171 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -82.89 105.67 14.09 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 118.882 -1.127 . . . . 0.0 108.663 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.4 m -81.91 175.41 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 118.783 -1.167 . . . . 0.0 108.996 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.844 ' OD2' ' HG3' ' A' ' 18' ' ' LYS . 24.7 t0 -116.3 143.32 45.68 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.111 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.7 tt -81.09 -16.77 12.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.001 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.0 m -98.34 0.76 46.12 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.095 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.844 ' HG3' ' OD2' ' A' ' 15' ' ' ASP . 29.3 mtpp -105.81 8.02 32.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.797 -1.161 . . . . 0.0 109.736 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.9 mt -91.44 82.89 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.946 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.72 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -88.4 138.1 31.74 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.604 177.239 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.72 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 49.7 mmtm 73.47 116.52 0.05 Allowed 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.581 -1.248 . . . . 0.0 108.832 -178.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.31 137.93 33.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 119.044 -1.062 . . . . 0.0 108.552 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 43.1 p90 -149.46 131.16 15.0 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.813 -1.155 . . . . 0.0 108.906 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -106.01 139.72 40.11 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.402 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -163.72 132.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 118.98 -1.088 . . . . 0.0 108.561 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.6 -130.72 10.45 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.841 -1.647 . . . . 0.0 109.786 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HD2' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -136.16 18.59 3.19 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.788 -1.165 . . . . 0.0 111.684 -178.37 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.742 ' HG3' ' HA ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -135.95 156.36 48.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 163.67 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.2 mt -91.12 124.8 43.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 118.776 -1.17 . . . . 0.0 109.032 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -105.53 157.01 17.68 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.111 -1.035 . . . . 0.0 108.972 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -164.9 -177.01 4.46 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.238 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.2 t -142.64 121.76 12.94 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.639 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -92.86 -173.27 3.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -149.15 122.09 8.78 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.417 -1.313 . . . . 0.0 110.083 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.1 29.32 3.73 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.126 176.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.5 -85.94 0.06 OUTLIER Glycine 0 CA--C 1.521 0.418 0 C-N-CA 118.787 -1.673 . . . . 0.0 110.257 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.09 -66.45 0.06 OUTLIER Glycine 0 CA--C 1.52 0.368 0 C-N-CA 118.788 -1.673 . . . . 0.0 109.863 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.61 -14.94 64.6 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 118.922 -1.609 . . . . 0.0 109.472 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 40' ' ' THR . 41.3 ttmt -150.78 103.02 3.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 28.5 m 63.26 74.7 0.42 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 123.432 2.833 . . . . 0.0 111.817 4.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.49 -172.17 38.05 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 119.04 -1.552 . . . . 0.0 110.037 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.09 93.15 2.8 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.137 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.57 -173.39 36.69 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 118.895 -1.621 . . . . 0.0 109.842 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.18 169.47 24.08 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.733 -1.187 . . . . 0.0 109.123 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 p -162.05 136.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.493 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.742 ' HA ' ' HG3' ' A' ' 28' ' ' MET . 47.0 t -67.58 152.38 45.73 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.504 -178.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.15 10.63 37.09 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.093 -1.043 . . . . 0.0 110.005 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -81.33 -27.47 34.94 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.384 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -134.71 35.0 3.15 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.324 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.88 154.32 64.39 Favored Pre-proline 0 C--N 1.321 -0.65 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.454 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.31 143.09 35.09 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 121.45 1.433 . . . . 0.0 111.694 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.76 -26.94 50.17 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.778 -1.169 . . . . 0.0 110.427 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -76.32 -14.57 60.1 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.739 -1.184 . . . . 0.0 110.778 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 54' ' ' LEU . 4.8 tt -83.64 -33.86 25.17 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.499 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.61 -34.05 58.38 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.68 -1.208 . . . . 0.0 110.447 -174.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -84.05 -10.44 57.85 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.598 -1.241 . . . . 0.0 110.224 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.5 tpp -84.53 -22.42 30.16 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.744 -1.182 . . . . 0.0 109.373 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.8 mt -120.93 37.54 4.29 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.801 -1.159 . . . . 0.0 109.785 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.318 -0.767 0 C-N-CA 118.44 -1.304 . . . . 0.0 109.093 174.926 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 121.601 0.715 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.1 p -127.21 152.01 47.95 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.183 -1.007 . . . . 0.0 108.856 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.8 t -106.94 127.97 62.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 119.121 -1.032 . . . . 0.0 108.526 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -93.5 157.48 16.18 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.286 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -163.04 80.54 0.47 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.929 -1.108 . . . . 0.0 108.637 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 20.2 ptpt -73.77 132.92 43.12 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.702 -177.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -77.27 -88.34 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.169 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -106.63 -73.98 0.67 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 119.154 -1.018 . . . . 0.0 108.34 173.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.47 20.37 7.42 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.033 -1.556 . . . . 0.0 109.906 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -120.46 130.67 54.41 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.114 -1.035 . . . . 0.0 108.476 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -81.87 156.08 25.01 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.088 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -153.06 121.78 6.43 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.866 -1.134 . . . . 0.0 108.639 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -107.68 167.66 9.8 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.523 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.6 p -160.74 132.47 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.603 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -73.41 145.91 45.47 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 118.623 -1.231 . . . . 0.0 108.755 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.21 -32.49 38.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 118.92 -1.112 . . . . 0.0 110.228 -174.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -84.65 -6.44 59.36 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.716 -1.194 . . . . 0.0 110.558 -175.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.9 ttpt -89.66 -15.31 32.93 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.019 -1.072 . . . . 0.0 109.369 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.2 mt -68.14 106.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 118.958 -1.097 . . . . 0.0 108.866 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.626 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 61.9 mttp -102.14 147.42 26.64 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.105 -1.038 . . . . 0.0 109.177 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.626 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 76.0 mmtt 69.99 92.24 0.09 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.707 -1.197 . . . . 0.0 109.084 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.4 m -124.61 141.61 44.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 119.007 -1.077 . . . . 0.0 109.012 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 41.8 p90 -155.37 132.09 10.57 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.898 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -107.85 121.6 45.09 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.908 -1.117 . . . . 0.0 109.55 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 m -136.98 141.92 39.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.488 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 27' ' ' LYS . . . 81.21 -87.4 1.37 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.767 -1.682 . . . . 0.0 110.275 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 55.8 mtmt -155.96 -63.58 0.11 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.257 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.474 ' SD ' ' N ' ' A' ' 28' ' ' MET . 2.1 mpt? -67.77 159.76 29.57 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.802 -1.159 . . . . 0.0 108.762 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -103.61 117.96 49.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 118.998 -1.081 . . . . 0.0 108.511 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.2 m -94.92 156.37 16.37 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.01 -1.076 . . . . 0.0 108.705 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -165.47 174.55 9.87 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.515 -1.274 . . . . 0.0 109.864 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.1 p -124.67 151.34 45.07 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -142.29 143.18 32.69 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.849 -1.14 . . . . 0.0 109.537 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -86.08 145.62 26.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.042 -1.063 . . . . 0.0 108.496 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.75 ' H ' ' CA ' ' A' ' 36' ' ' GLY . 13.1 pt-20 -137.3 -22.35 1.15 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -177.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.75 ' CA ' ' H ' ' A' ' 35' ' ' GLU . . . -174.71 -107.45 0.21 Allowed Glycine 0 N--CA 1.462 0.423 0 CA-C-N 123.596 2.907 . . . . 0.0 108.586 -0.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.88 -71.85 2.36 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 118.921 -1.609 . . . . 0.0 110.522 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.12 51.43 0.34 Allowed Glycine 0 C--N 1.319 -0.405 0 C-N-CA 118.826 -1.654 . . . . 0.0 109.916 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -134.23 -38.78 0.85 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.121 -1.032 . . . . 0.0 108.686 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.9 m 55.2 86.14 0.06 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.134 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.95 172.3 37.16 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.724 -1.703 . . . . 0.0 110.211 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -155.27 144.49 20.97 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.986 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.52 -155.82 8.6 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 118.672 -1.728 . . . . 0.0 109.867 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.55 167.75 20.95 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 118.694 -1.203 . . . . 0.0 109.42 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 p -157.44 132.22 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 118.814 -1.154 . . . . 0.0 108.378 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.6 m -71.5 152.63 42.85 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 118.644 -1.222 . . . . 0.0 109.286 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.37 -12.79 59.91 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.556 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -70.13 -32.28 70.21 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.703 -1.199 . . . . 0.0 109.768 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -124.12 56.85 1.24 Allowed 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.242 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -118.97 153.69 52.83 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.531 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.37 147.82 27.83 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.517 1.478 . . . . 0.0 111.665 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -78.48 -26.23 45.97 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 118.751 -1.18 . . . . 0.0 110.355 -174.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -74.77 -20.07 59.95 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.729 -1.188 . . . . 0.0 110.169 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.474 ' O ' HD23 ' A' ' 54' ' ' LEU . 4.2 tt -77.02 -31.57 56.43 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.058 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.07 -31.79 68.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.836 -1.146 . . . . 0.0 109.651 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -77.61 -21.26 52.59 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.746 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.9 ttt -72.95 -29.68 63.28 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.672 -1.211 . . . . 0.0 108.861 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.989 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . 94.8 mt -132.39 84.01 2.12 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 175.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.989 ' HB3' ' HA ' ' A' ' 58' ' ' LEU . 12.5 pt-20 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 120.75 -1.219 . . . . 0.0 109.12 1.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 121.762 0.791 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t -159.56 159.05 32.84 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.34 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.0 t -126.78 128.81 71.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.394 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 58.7 pttt -121.15 113.9 20.67 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.621 177.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -99.77 129.2 45.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.881 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.503 ' H ' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -97.39 132.64 42.92 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.787 -1.165 . . . . 0.0 109.579 -179.449 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -167.16 97.7 0.51 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.904 -1.118 . . . . 0.0 108.607 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.948 ' HB2' ' CA ' ' A' ' 9' ' ' GLY . 75.9 mmtt -68.82 -66.2 0.6 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 119.539 -1.975 . . . . 0.0 110.691 0.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.948 ' CA ' ' HB2' ' A' ' 8' ' ' LYS . . . 150.51 -61.09 0.42 Allowed Glycine 0 N--CA 1.463 0.467 0 N-CA-C 107.418 -2.273 . . . . 0.0 107.418 -8.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -137.45 138.1 39.43 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 173.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -69.41 134.78 49.42 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.62 -1.232 . . . . 0.0 109.301 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -142.48 91.48 2.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 4' ' ' LYS . 26.3 tt0 -99.92 130.85 46.14 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.826 -176.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.94 138.68 52.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.15 159.04 27.11 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.12 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.6 pt -90.01 -3.07 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.17 -1.012 . . . . 0.0 110.79 -175.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.0 p -88.15 -10.01 51.32 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.441 -175.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -93.4 -1.44 55.82 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.886 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.4 mt -78.43 129.58 37.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 118.556 -1.258 . . . . 0.0 107.732 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.713 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 25.3 pttm -147.53 -0.93 0.63 Allowed 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 118.538 -1.265 . . . . 0.0 110.056 -177.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.909 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 2.8 mmmp? -132.11 100.42 5.04 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.828 -1.149 . . . . 0.0 109.071 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.48 144.15 37.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.246 -0.982 . . . . 0.0 108.931 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -149.73 138.7 21.1 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.954 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -93.96 118.42 31.46 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.885 -171.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -163.21 130.44 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 118.999 -1.08 . . . . 0.0 108.484 173.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.11 -168.64 32.68 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 118.76 -1.686 . . . . 0.0 110.328 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.701 ' HG3' ' HG3' ' A' ' 28' ' ' MET . 21.9 ptmt -86.67 -13.34 45.79 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.996 -1.082 . . . . 0.0 110.639 -177.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.701 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 63.1 mtt -122.4 161.65 23.08 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 118.758 -1.177 . . . . 0.0 109.395 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mm -101.44 131.5 49.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 119.079 -1.049 . . . . 0.0 108.992 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -101.41 164.73 11.62 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.988 -1.085 . . . . 0.0 108.99 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -164.74 166.56 19.79 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.662 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.909 ' OG1' ' HB2' ' A' ' 21' ' ' LYS . 73.9 p -124.81 86.44 2.56 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.177 -178.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -69.94 144.84 52.28 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 118.44 -1.304 . . . . 0.0 108.07 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -91.06 118.93 30.8 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.486 -1.286 . . . . 0.0 110.504 -174.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -164.87 77.13 0.31 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.467 ' HA3' ' HD2' ' A' ' 39' ' ' LYS . . . -179.75 -46.43 0.08 OUTLIER Glycine 0 CA--C 1.52 0.354 0 C-N-CA 118.594 -1.765 . . . . 0.0 110.425 -177.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.55 38.6 57.51 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 118.641 -1.742 . . . . 0.0 109.477 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.7 -15.13 0.71 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HD2' ' HA3' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -157.71 71.64 0.63 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.019 -1.073 . . . . 0.0 109.026 179.063 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.4 p -59.83 161.28 6.58 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.782 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.09 167.51 23.94 Favored Glycine 0 C--N 1.32 -0.327 0 C-N-CA 118.891 -1.623 . . . . 0.0 110.201 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -131.22 141.48 50.04 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.143 -1.023 . . . . 0.0 108.946 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.39 177.99 21.24 Favored Glycine 0 N--CA 1.461 0.355 0 C-N-CA 118.92 -1.609 . . . . 0.0 109.771 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.03 143.17 13.84 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.187 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.3 p -161.5 136.24 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 118.772 -1.171 . . . . 0.0 108.226 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.6 t -67.04 157.07 34.42 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.693 -1.203 . . . . 0.0 109.643 -177.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -91.81 12.14 22.44 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.152 -1.019 . . . . 0.0 110.083 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -75.21 -26.6 59.09 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.649 -1.22 . . . . 0.0 109.478 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -134.89 71.33 1.44 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.031 -1.067 . . . . 0.0 108.874 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.7 153.96 76.17 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.254 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -56.76 156.28 23.76 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.306 1.337 . . . . 0.0 111.985 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -26.64 60.04 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.119 -1.032 . . . . 0.0 110.211 -175.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.42 -34.54 78.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.423 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.46 -34.71 65.51 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.264 -1.375 . . . . 0.0 108.968 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.53 -32.97 54.37 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.733 -175.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -80.8 -18.39 47.7 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 118.769 -1.172 . . . . 0.0 109.76 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.4 tpp -80.19 -30.9 38.78 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.705 -1.198 . . . . 0.0 110.071 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.9 mt -106.86 -29.34 9.55 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.605 -1.238 . . . . 0.0 110.894 -173.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 C--N 1.321 -0.662 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.691 -177.503 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 121.755 0.788 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -162.52 164.63 26.83 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.691 -1.204 . . . . 0.0 109.103 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.3 t -122.85 102.08 10.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 119.074 -1.05 . . . . 0.0 108.755 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.71 168.94 6.98 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.179 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -159.76 80.73 0.72 Allowed 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.667 -1.213 . . . . 0.0 109.48 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 14.8 ptmm? -76.83 158.28 30.93 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.728 -1.189 . . . . 0.0 108.911 178.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -101.8 -96.7 0.28 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.875 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.44 ' H ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -107.27 -34.2 7.18 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 118.404 -1.318 . . . . 0.0 109.592 176.587 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.73 31.86 0.75 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 118.82 -1.657 . . . . 0.0 109.961 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 45.2 mt-10 -128.9 -176.13 3.76 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.109 -1.036 . . . . 0.0 108.826 -179.05 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -141.94 131.05 23.28 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.994 -1.083 . . . . 0.0 108.766 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.19 167.27 18.67 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.05 -1.06 . . . . 0.0 108.368 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -152.76 131.65 12.49 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.808 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -139.57 132.7 36.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.97 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.11 159.45 18.9 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.917 -1.113 . . . . 0.0 108.253 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.24 -29.05 41.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.241 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.5 p -80.76 -4.43 54.51 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.833 -1.147 . . . . 0.0 110.81 -177.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -98.81 12.77 34.66 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.448 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mt -120.17 137.01 55.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.31 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -124.69 -44.09 1.98 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.878 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.515 ' HA ' ' HB ' ' A' ' 22' ' ' VAL . 31.6 tttt -137.49 116.59 12.52 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 -178.192 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.515 ' HB ' ' HA ' ' A' ' 21' ' ' LYS 0.259 58.2 t 68.38 82.44 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 124.283 3.219 . . . . 0.0 112.336 3.119 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.4 p90 -164.27 131.12 3.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 113.627 -1.624 . . . . 0.0 106.872 168.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.532 ' HG3' ' HA ' ' A' ' 29' ' ' ILE . 4.1 mmp_? -148.14 176.14 10.46 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.522 -1.271 . . . . 0.0 110.75 -177.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -163.58 24.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.43 -113.82 0.36 Allowed Glycine 0 CA--C 1.519 0.329 0 C-N-CA 118.578 -1.773 . . . . 0.0 111.514 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 1.026 ' HG2' ' HG3' ' A' ' 28' ' ' MET . 24.2 ttmm -95.12 147.54 23.33 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.083 -170.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . 1.026 ' HG3' ' HG2' ' A' ' 27' ' ' LYS . 84.1 mtp 62.22 -177.35 0.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.784 172.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.532 ' HA ' ' HG3' ' A' ' 24' ' ' ARG . 4.2 mp -128.08 121.01 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.408 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.0 m -93.68 142.11 27.72 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.3 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.468 ' HA ' ' H ' ' A' ' 22' ' ' VAL . 55.1 p90 -158.04 148.84 20.79 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.355 -1.338 . . . . 0.0 110.095 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.801 HG22 ' HG3' ' A' ' 42' ' ' ARG . 70.5 p -126.6 95.9 4.5 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.21 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -73.33 170.38 15.16 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.74 -1.184 . . . . 0.0 108.631 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -137.03 122.77 19.9 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.717 -1.193 . . . . 0.0 109.591 -178.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -159.76 77.52 0.68 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 118.626 -1.23 . . . . 0.0 109.816 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.05 123.27 0.86 Allowed Glycine 0 N--CA 1.463 0.481 0 O-C-N 120.083 -1.636 . . . . 0.0 109.725 0.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.22 67.46 0.9 Allowed Glycine 0 CA--C 1.52 0.361 0 C-N-CA 118.985 -1.579 . . . . 0.0 110.33 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.3 -20.06 33.4 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 119.033 -1.556 . . . . 0.0 110.594 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -82.03 -81.64 0.14 Allowed 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.589 -1.244 . . . . 0.0 109.221 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 m 57.1 91.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.804 0.812 . . . . 0.0 110.482 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.49 139.07 14.75 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 118.847 -1.644 . . . . 0.0 110.169 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.801 ' HG3' HG22 ' A' ' 32' ' ' THR . 0.5 OUTLIER -90.22 150.38 22.0 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.033 -1.067 . . . . 0.0 108.392 179.347 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.46 172.72 36.92 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 118.793 -1.67 . . . . 0.0 110.019 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.22 164.57 27.65 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.73 -1.188 . . . . 0.0 109.212 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.4 p -162.93 135.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 118.8 -1.16 . . . . 0.0 108.364 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -71.96 160.3 32.76 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 118.646 -1.222 . . . . 0.0 109.634 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.07 24.58 5.47 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.173 -1.011 . . . . 0.0 110.776 -177.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -93.85 -4.04 50.79 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.578 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -163.77 53.82 0.16 Allowed 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 118.835 -1.146 . . . . 0.0 108.481 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.75 152.17 40.74 Favored Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.002 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.54 151.87 22.92 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.458 1.438 . . . . 0.0 111.602 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -81.73 -13.53 57.69 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.844 -1.142 . . . . 0.0 109.78 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.23 -33.0 74.95 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.577 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.56 -34.23 62.88 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.512 -1.275 . . . . 0.0 108.958 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.7 mt -77.56 -30.04 52.46 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 118.486 -1.286 . . . . 0.0 109.84 -176.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -83.83 -17.35 41.28 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 118.639 -1.225 . . . . 0.0 109.845 -177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 tpt -97.02 -25.04 15.51 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.689 -1.204 . . . . 0.0 110.606 -174.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.5 mt -126.1 21.76 7.38 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 118.328 -1.349 . . . . 0.0 111.244 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 . . . . . 0 C--N 1.321 -0.661 0 C-N-CA 118.65 -1.22 . . . . 0.0 108.527 174.697 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 121.654 0.74 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.0 p -129.97 134.23 47.31 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.587 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t -81.92 121.75 35.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.299 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -106.51 81.55 1.61 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.255 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -84.38 134.11 34.49 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 118.899 -1.12 . . . . 0.0 108.954 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 175.75 7.63 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.442 -178.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -137.04 -80.01 0.39 Allowed 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.464 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -110.92 -76.13 0.61 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.489 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.97 37.03 2.06 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 119.059 -1.543 . . . . 0.0 109.971 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -147.29 109.56 4.54 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.81 -1.156 . . . . 0.0 109.08 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.22 149.46 23.84 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.056 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -133.99 148.29 51.1 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.413 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -116.27 156.92 25.77 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.31 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -159.69 133.16 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 118.749 -1.181 . . . . 0.0 108.799 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.845 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 7.5 m-20 -87.74 154.63 20.41 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.21 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.61 -42.15 94.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.479 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -88.8 4.89 46.06 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 118.777 -1.169 . . . . 0.0 110.465 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.845 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 6.2 tmtt? -91.34 -19.32 23.06 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.002 -1.079 . . . . 0.0 108.538 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.6 mt -69.48 128.51 33.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 118.884 -1.126 . . . . 0.0 108.707 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.733 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 59.2 mtpt -123.6 137.7 54.69 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 118.884 -1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.733 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 28.6 mtpp 76.21 132.8 0.05 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.24 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -162.52 137.6 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 118.686 -1.206 . . . . 0.0 108.734 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -144.76 130.58 19.17 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.824 -1.15 . . . . 0.0 108.989 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -95.63 127.21 41.47 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.024 -1.071 . . . . 0.0 110.135 -175.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.6 p -164.3 130.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.49 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.9 -154.48 29.3 Favored Glycine 0 C--N 1.319 -0.373 0 C-N-CA 118.746 -1.692 . . . . 0.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -83.15 -77.24 0.25 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.908 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 28' ' ' MET . 2.1 mpt? -69.68 141.82 53.5 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.201 -175.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.3 mm -87.71 131.43 35.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 118.947 -1.101 . . . . 0.0 108.849 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 m -97.05 164.55 12.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.711 -178.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -166.68 173.3 9.77 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.095 -1.042 . . . . 0.0 108.625 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.3 p -127.75 95.07 4.11 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.869 -1.132 . . . . 0.0 109.407 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -78.32 131.79 37.17 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.236 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -92.25 124.09 36.07 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.772 -1.171 . . . . 0.0 110.796 -173.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -137.71 -59.07 0.67 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 122.107 0.956 . . . . 0.0 108.55 175.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.13 -42.74 94.27 Favored Glycine 0 C--N 1.317 -0.507 0 C-N-CA 119.195 -1.479 . . . . 0.0 110.609 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.89 -68.49 2.0 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 118.862 -1.637 . . . . 0.0 109.02 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.73 -25.97 43.98 Favored Glycine 0 C--N 1.32 -0.36 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 174.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -117.57 64.31 0.74 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.296 -0.962 . . . . 0.0 108.551 176.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.6 m -59.68 132.36 53.72 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.677 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.51 137.95 14.19 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 118.809 -1.663 . . . . 0.0 110.324 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -110.14 144.51 38.67 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.01 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.73 -171.96 20.06 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 118.813 -1.66 . . . . 0.0 109.983 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.89 159.04 23.29 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.525 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -161.44 140.83 2.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 118.859 -1.136 . . . . 0.0 108.356 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -62.9 147.18 51.05 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.503 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -97.72 9.05 43.57 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.111 -1.036 . . . . 0.0 110.073 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -80.78 -26.27 37.34 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.656 -1.218 . . . . 0.0 109.64 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -128.54 30.7 5.11 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.56 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.43 157.55 58.55 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 118.821 -1.151 . . . . 0.0 108.32 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -49.79 155.13 4.22 Favored 'Trans proline' 0 C--N 1.329 -0.478 0 C-N-CA 121.52 1.48 . . . . 0.0 112.182 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -79.22 -16.97 55.7 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.862 -1.135 . . . . 0.0 110.675 -174.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.92 -32.17 72.45 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 118.891 -1.123 . . . . 0.0 109.998 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.5 mt -75.51 -28.71 59.25 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.666 -1.214 . . . . 0.0 109.609 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.24 -35.46 68.84 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.301 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -85.15 -14.16 47.87 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.853 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.5 tpp -83.75 -17.75 40.13 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.137 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.984 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 82.9 mt -131.77 89.66 2.73 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.984 ' CG ' ' HA ' ' A' ' 58' ' ' LEU . 46.6 mt-10 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 120.123 -1.611 . . . . 0.0 107.784 -0.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.1 p -129.48 164.22 24.19 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 81.8 t -124.78 125.04 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -78.07 147.61 34.65 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.731 -1.187 . . . . 0.0 108.882 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -160.91 76.75 0.56 Allowed 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.707 -1.197 . . . . 0.0 109.134 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 20.1 ptpt -77.76 128.01 33.34 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.769 -1.173 . . . . 0.0 109.199 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -77.24 -57.25 3.94 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.67 -1.212 . . . . 0.0 108.784 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -136.62 -98.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.05 20.09 44.37 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.073 -1.061 . . . . 0.0 110.825 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -130.22 111.05 12.04 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.56 138.71 51.16 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 118.735 -1.186 . . . . 0.0 109.435 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -135.19 152.65 51.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -130.87 144.15 51.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.66 135.36 63.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -84.82 146.36 27.38 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.718 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mp -78.35 -29.63 15.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.415 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.3 m -82.09 -21.53 36.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.893 -175.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -85.37 -15.8 41.96 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.815 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.5 mt -78.5 96.32 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -85.15 -54.74 4.43 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.42 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.172 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 75.7 mmtt -71.19 125.66 27.51 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.837 -1.145 . . . . 0.0 108.776 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -160.16 132.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.788 -1.165 . . . . 0.0 108.65 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -153.13 130.73 11.49 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.201 -0.999 . . . . 0.0 108.815 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -81.71 128.04 33.56 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.926 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.9 p -160.36 131.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 118.896 -1.121 . . . . 0.0 108.485 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.45 -164.27 52.67 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 118.657 -1.735 . . . . 0.0 110.003 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -50.32 10.55 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.481 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -77.45 124.37 27.8 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.708 -1.197 . . . . 0.0 109.193 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.8 mm -78.12 116.79 22.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 118.927 -1.109 . . . . 0.0 108.129 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.0 m -80.25 158.65 26.14 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.936 -1.106 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -161.72 167.6 24.74 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 118.798 -1.161 . . . . 0.0 108.977 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 1.172 ' OG1' ' HB2' ' A' ' 21' ' ' LYS . 44.7 p -129.11 92.68 3.43 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -76.46 128.95 35.8 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 118.861 -1.136 . . . . 0.0 109.112 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -80.21 123.01 27.55 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.403 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -162.27 81.0 0.53 Allowed 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.712 -1.195 . . . . 0.0 108.554 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.19 -33.49 0.38 Allowed Glycine 0 CA--C 1.52 0.406 0 C-N-CA 118.7 -1.714 . . . . 0.0 109.945 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.5 30.7 48.3 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 118.715 -1.707 . . . . 0.0 109.869 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.31 -36.5 0.4 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.76 -1.686 . . . . 0.0 109.825 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.43 -49.28 13.76 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.141 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.7 m 59.23 96.78 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.976 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.606 ' C ' ' HG3' ' A' ' 42' ' ' ARG . . . -70.01 174.96 36.0 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 118.738 -1.696 . . . . 0.0 110.126 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.606 ' HG3' ' C ' ' A' ' 41' ' ' GLY . 79.7 mtp180 -159.39 143.98 15.34 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.319 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.92 -150.15 5.81 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 118.828 -1.653 . . . . 0.0 109.788 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.81 175.21 11.5 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.63 -1.228 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.1 p -159.76 132.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 118.78 -1.168 . . . . 0.0 108.524 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.7 m -70.25 164.03 25.19 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.425 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -102.55 37.2 1.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.375 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -79.41 -30.58 42.46 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.214 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.41 74.18 0.61 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.866 -1.134 . . . . 0.0 108.989 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.4 162.12 67.41 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -61.82 166.87 11.24 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 CA-C-N 122.47 1.918 . . . . 0.0 112.609 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -81.61 -25.75 35.45 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.874 -1.13 . . . . 0.0 109.983 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -82.58 -22.82 34.71 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.103 -1.039 . . . . 0.0 110.108 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 tt -77.3 -32.51 55.44 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.933 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.594 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 91.5 mt -77.09 -31.57 56.02 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.734 -1.187 . . . . 0.0 109.504 -177.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -80.76 -26.96 36.92 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.642 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.6 tpp -71.28 -53.65 13.55 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.627 -1.229 . . . . 0.0 109.306 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.1 mt -75.82 -52.32 10.64 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 118.605 -1.238 . . . . 0.0 108.871 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.594 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 52.0 mt-10 -85.71 80.51 8.96 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.467 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -81.81 92.29 6.65 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.032 -1.067 . . . . 0.0 108.773 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -77.61 -59.51 2.75 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 118.649 -1.221 . . . . 0.0 108.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? . . . . . 0 C--O 1.25 1.088 0 C-N-CA 118.723 -1.191 . . . . 0.0 108.533 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 121.674 0.75 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.9 p -122.97 162.59 22.02 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.121 -1.031 . . . . 0.0 108.936 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.0 t -104.36 120.86 55.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.032 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 23.9 tptp -70.56 141.51 51.83 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.501 -1.279 . . . . 0.0 109.149 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -156.32 97.74 1.79 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.528 -1.269 . . . . 0.0 109.668 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -80.01 132.28 35.97 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.111 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.721 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 53.1 t80 -91.81 -87.88 0.2 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.721 -1.192 . . . . 0.0 108.565 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.721 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 14.3 mmmm -115.04 -70.7 0.78 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.147 -1.021 . . . . 0.0 108.459 176.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.14 35.77 2.31 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 119.157 -1.497 . . . . 0.0 109.534 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -145.0 142.4 29.77 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.481 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.74 144.77 28.3 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.67 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.4 tp -152.08 100.45 2.63 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 118.597 -1.241 . . . . 0.0 108.846 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -91.45 110.63 21.94 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.79 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 m -88.02 176.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 118.939 -1.104 . . . . 0.0 108.636 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -121.06 152.06 39.09 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.454 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.76 -36.57 59.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 119.198 -1.001 . . . . 0.0 109.296 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.3 t -86.69 2.37 48.79 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.766 -1.174 . . . . 0.0 111.015 -173.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.624 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 24.3 ttmm -102.16 3.5 38.51 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.76 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.7 mt -89.18 123.67 41.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.965 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 87.1 tttt -116.5 148.07 41.16 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.958 -1.097 . . . . 0.0 108.859 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.972 ' HG3' ' HZ3' ' A' ' 23' ' ' TRP . 4.0 tppp? 67.25 93.25 0.07 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 118.569 -1.252 . . . . 0.0 108.717 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.82 138.87 52.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.023 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.972 ' HZ3' ' HG3' ' A' ' 21' ' ' LYS . 44.2 p90 -153.09 127.68 9.38 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.71 -1.196 . . . . 0.0 109.125 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -97.24 127.37 43.14 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.129 -1.029 . . . . 0.0 109.872 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.3 p -163.5 131.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 118.969 -1.093 . . . . 0.0 108.498 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.68 -145.87 18.16 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 118.757 -1.687 . . . . 0.0 110.016 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -94.41 -69.01 0.77 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.955 -1.098 . . . . 0.0 108.589 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.0 mtp -72.31 176.39 5.32 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.671 -1.212 . . . . 0.0 109.15 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -116.55 130.31 71.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 119.127 -1.029 . . . . 0.0 108.552 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.9 m -100.68 158.77 15.71 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.3 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -166.0 170.2 13.85 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.845 -1.142 . . . . 0.0 109.482 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.438 ' OG1' ' HB3' ' A' ' 21' ' ' LYS . 69.4 p -124.64 87.96 2.81 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.233 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -68.36 134.72 50.69 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.519 -1.273 . . . . 0.0 108.065 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -82.77 122.03 27.66 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 118.382 -1.327 . . . . 0.0 110.107 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -163.64 67.3 0.18 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.04 -52.43 0.08 OUTLIER Glycine 0 CA--C 1.521 0.409 0 C-N-CA 118.546 -1.787 . . . . 0.0 110.377 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.16 -52.75 1.07 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 119.023 -1.561 . . . . 0.0 109.392 -176.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 39' ' ' LYS . . . -129.09 41.44 1.55 Allowed Glycine 0 C--N 1.319 -0.374 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.638 ' HB3' ' O ' ' A' ' 38' ' ' GLY . 14.0 ptmm? 168.18 63.25 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 118.993 -1.083 . . . . 0.0 109.011 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.3 p -63.48 167.42 5.54 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.061 -1.056 . . . . 0.0 109.42 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.57 135.99 12.81 Favored Glycine 0 N--CA 1.461 0.352 0 C-N-CA 118.867 -1.635 . . . . 0.0 110.113 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -96.95 139.97 32.18 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 118.979 -1.088 . . . . 0.0 108.768 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.13 -171.02 15.89 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 118.879 -1.629 . . . . 0.0 109.795 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.17 160.52 24.25 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.622 -1.231 . . . . 0.0 109.562 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 p -155.83 136.09 4.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 118.911 -1.116 . . . . 0.0 108.282 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.7 m -66.78 152.54 45.34 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 118.751 -1.18 . . . . 0.0 109.382 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -97.78 43.69 1.06 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.003 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -83.62 -22.75 32.12 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 118.802 -1.159 . . . . 0.0 108.937 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -160.3 57.14 0.35 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.833 -1.147 . . . . 0.0 108.599 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.82 153.58 55.1 Favored Pre-proline 0 C--N 1.321 -0.668 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.786 -178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -52.92 158.43 6.49 Favored 'Trans proline' 0 C--N 1.327 -0.595 0 C-N-CA 121.527 1.485 . . . . 0.0 112.007 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -79.66 -16.98 54.74 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.827 -1.149 . . . . 0.0 110.361 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -64.91 -34.26 77.97 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.275 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.04 -34.12 66.12 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.568 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 83.5 mt -75.61 -32.72 60.4 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.165 -1.414 . . . . 0.0 109.493 -176.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -81.07 -18.82 45.3 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 118.392 -1.323 . . . . 0.0 110.187 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -76.82 -32.5 57.64 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 118.504 -1.278 . . . . 0.0 109.068 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -108.46 21.57 17.13 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 118.206 -1.398 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 46.5 mt-10 -160.39 38.9 0.17 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 pptp? -65.49 132.0 47.81 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 118.768 -1.173 . . . . 0.0 108.875 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -169.99 173.77 5.85 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.087 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp . . . . . 0 C--O 1.249 1.056 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.814 179.483 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 121.781 0.801 . . . . 0.0 109.181 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 t -163.51 160.2 22.92 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.648 -1.221 . . . . 0.0 109.583 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -158.04 130.49 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 119.002 -1.079 . . . . 0.0 108.346 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -91.17 103.93 16.55 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.723 -1.191 . . . . 0.0 109.231 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -82.66 85.18 7.06 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.898 -1.121 . . . . 0.0 108.385 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.6 143.94 53.14 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.781 -1.168 . . . . 0.0 110.08 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -140.45 151.18 44.66 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 175.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -67.1 -25.45 66.22 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.645 -1.222 . . . . 0.0 110.311 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.03 -39.49 23.6 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 118.702 -1.713 . . . . 0.0 110.722 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -167.49 134.13 2.21 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.438 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.7 144.51 50.98 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.719 -1.192 . . . . 0.0 109.123 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -133.46 169.96 16.19 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.802 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -144.49 100.18 3.49 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.78 133.79 42.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.524 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -87.48 151.25 23.19 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.794 -1.162 . . . . 0.0 109.179 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.9 mm -79.94 -23.3 11.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.478 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -89.55 3.22 53.19 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.831 -1.147 . . . . 0.0 110.905 -175.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -113.11 15.69 19.43 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 118.911 -1.115 . . . . 0.0 109.423 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.8 mt -120.59 114.94 45.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 118.924 -1.111 . . . . 0.0 108.622 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -76.8 -76.89 0.15 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 118.634 -1.226 . . . . 0.0 108.001 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.628 ' HA ' HG22 ' A' ' 22' ' ' VAL . 59.4 mtmt -109.82 135.77 50.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 176.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.628 HG22 ' HA ' ' A' ' 21' ' ' LYS 0.39 1.9 m 56.61 95.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 123.762 2.983 . . . . 0.0 114.462 7.272 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.6 p90 -163.29 131.88 3.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.399 -1.273 . . . . 0.0 107.607 171.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.24 133.26 34.09 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.641 -1.224 . . . . 0.0 109.841 -171.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.66 -19.58 3.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.62 -130.32 1.21 Allowed Glycine 0 C--N 1.317 -0.474 0 C-N-CA 118.929 -1.605 . . . . 0.0 110.169 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -90.76 -32.03 16.29 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.658 -1.217 . . . . 0.0 110.686 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.6 mtt -87.98 133.72 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 118.613 -1.235 . . . . 0.0 108.369 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.46 119.78 35.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 118.61 -1.236 . . . . 0.0 108.733 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 t -90.55 153.55 20.27 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.88 -1.128 . . . . 0.0 108.461 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -161.81 149.24 14.46 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.209 -1.396 . . . . 0.0 109.64 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.415 HG22 ' HG2' ' A' ' 42' ' ' ARG . 71.0 p -123.74 104.17 8.82 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -89.22 160.8 16.77 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.921 -1.111 . . . . 0.0 108.519 177.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -95.08 121.0 36.26 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.678 -1.209 . . . . 0.0 110.331 -175.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -166.19 84.2 0.3 Allowed 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.216 -0.994 . . . . 0.0 108.551 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.02 -45.11 0.18 Allowed Glycine 0 CA--C 1.52 0.384 0 C-N-CA 118.376 -1.869 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.68 45.39 76.49 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 108.458 -1.857 . . . . 0.0 108.458 -174.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.72 -30.21 2.51 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -174.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -123.4 75.29 1.31 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.9 m -65.1 134.61 54.16 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.211 -0.996 . . . . 0.0 109.427 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.94 156.02 43.42 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 118.713 -1.708 . . . . 0.0 110.114 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' HG2' HG22 ' A' ' 32' ' ' THR . 84.1 mtm180 -150.23 140.41 22.16 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.095 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.76 -157.73 9.05 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 118.741 -1.695 . . . . 0.0 109.996 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.76 174.06 13.74 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.365 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.9 p -156.67 134.83 2.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.294 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.3 p -67.62 148.62 51.15 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.731 -1.187 . . . . 0.0 109.819 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -83.67 -15.8 47.48 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.577 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.34 -31.81 71.47 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.883 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -128.71 65.01 1.43 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.963 -1.095 . . . . 0.0 109.346 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.18 150.99 52.52 Favored Pre-proline 0 C--N 1.321 -0.642 0 C-N-CA 118.934 -1.107 . . . . 0.0 108.71 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.26 143.11 54.3 Favored 'Trans proline' 0 C--N 1.328 -0.549 0 C-N-CA 121.528 1.485 . . . . 0.0 111.532 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -81.27 -20.31 41.16 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.369 -175.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.5 -19.14 61.0 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.779 -1.168 . . . . 0.0 110.346 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 54' ' ' LEU . 5.4 tt -86.29 -30.04 22.6 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.104 -1.038 . . . . 0.0 108.268 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.14 -13.79 56.67 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.767 -1.173 . . . . 0.0 110.696 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -78.34 -21.48 49.47 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.586 -1.246 . . . . 0.0 109.569 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.5 tpp -73.9 -25.84 60.22 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.631 -1.227 . . . . 0.0 108.876 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.891 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 87.4 mt -132.95 87.1 2.37 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.891 ' CG ' ' HA ' ' A' ' 58' ' ' LEU . 43.4 mt-10 -154.16 -91.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 120.349 -1.47 . . . . 0.0 107.709 -1.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.872 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 14.8 ptmm? 146.35 148.89 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 118.883 -1.127 . . . . 0.0 108.918 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -125.28 -100.75 0.39 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.036 -1.065 . . . . 0.0 108.929 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? . . . . . 0 C--O 1.249 1.077 0 C-N-CA 118.67 -1.212 . . . . 0.0 108.146 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 121.716 0.77 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.9 p -127.91 132.73 49.27 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.713 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.9 t -93.33 120.13 42.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 118.836 -1.146 . . . . 0.0 108.528 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -79.78 92.56 5.46 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.728 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -85.87 78.32 9.53 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.472 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -73.16 148.64 43.65 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.911 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -151.24 152.05 32.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -67.01 -27.72 67.65 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.869 -1.132 . . . . 0.0 110.228 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.627 ' O ' ' HB2' ' A' ' 10' ' ' GLU . . . -74.09 -29.14 63.07 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 118.824 -1.655 . . . . 0.0 110.655 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.627 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 42.1 tt0 174.61 136.33 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.433 -1.307 . . . . 0.0 109.471 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -76.81 133.95 39.23 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 118.877 -1.129 . . . . 0.0 108.9 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.34 146.98 51.81 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.612 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -120.4 101.06 7.53 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.089 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.26 177.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.841 -1.144 . . . . 0.0 109.004 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -125.87 147.55 49.43 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.087 -1.045 . . . . 0.0 108.841 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.9 pp -82.39 -13.89 12.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 118.924 -1.11 . . . . 0.0 110.004 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.5 t -93.88 -6.02 46.65 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.646 -1.222 . . . . 0.0 110.213 -176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -103.54 11.93 35.67 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.849 -1.14 . . . . 0.0 109.628 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.9 mt -94.01 98.94 8.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 118.811 -1.156 . . . . 0.0 108.623 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -91.24 -74.99 0.48 Allowed 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.447 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -74.28 141.41 45.3 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.551 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -159.63 137.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 118.815 -1.154 . . . . 0.0 108.733 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 38.4 p90 -152.37 134.93 15.3 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.273 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' H ' ' HD2' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -91.01 145.81 24.39 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.629 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.1 t -118.01 -21.5 4.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.108 -1.037 . . . . 0.0 108.897 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.84 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . 131.71 111.08 1.33 Allowed Glycine 0 C--N 1.318 -0.444 0 C-N-CA 119.12 -1.514 . . . . 0.0 110.342 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.84 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 3.9 tmtp? 102.86 -50.05 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.856 -1.138 . . . . 0.0 108.772 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 60.5 mtt -132.34 172.07 12.92 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.077 -1.049 . . . . 0.0 108.883 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mm -114.23 115.12 48.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.69 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.4 t -80.64 154.61 27.28 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 118.757 -1.177 . . . . 0.0 109.02 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -162.36 158.8 24.52 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.562 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -123.04 88.37 2.92 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.192 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -76.46 135.48 39.39 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 118.594 -1.242 . . . . 0.0 108.259 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -84.17 122.05 28.31 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.527 -1.269 . . . . 0.0 109.865 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -164.37 78.58 0.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.416 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.16 -44.04 0.07 OUTLIER Glycine 0 CA--C 1.519 0.313 0 C-N-CA 118.586 -1.768 . . . . 0.0 110.311 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.33 39.98 80.89 Favored Glycine 0 C--N 1.319 -0.367 0 C-N-CA 118.654 -1.736 . . . . 0.0 109.482 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.92 -17.41 1.21 Allowed Glycine 0 CA--C 1.52 0.368 0 N-CA-C 108.824 -1.71 . . . . 0.0 108.824 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -153.68 77.6 1.11 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.093 -1.043 . . . . 0.0 108.323 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.4 t -64.56 160.57 19.25 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.701 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.69 133.91 11.89 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 118.998 -1.573 . . . . 0.0 110.398 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -105.0 143.02 33.76 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.808 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.78 -169.74 19.74 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 118.657 -1.735 . . . . 0.0 110.009 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.09 160.67 33.35 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.314 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 p -161.05 136.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.844 -1.142 . . . . 0.0 108.422 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.1 p -67.18 149.88 49.88 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.699 -1.2 . . . . 0.0 109.25 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -98.88 21.58 11.35 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.071 -1.051 . . . . 0.0 109.948 -178.635 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -80.42 -24.16 39.83 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.394 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -141.79 67.38 1.33 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.965 -1.094 . . . . 0.0 108.771 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -110.36 157.11 39.05 Favored Pre-proline 0 C--N 1.322 -0.63 0 C-N-CA 119.203 -0.999 . . . . 0.0 108.429 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -51.01 159.68 2.38 Favored 'Trans proline' 0 C--N 1.328 -0.525 0 C-N-CA 121.518 1.478 . . . . 0.0 112.106 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -69.14 -28.16 66.2 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.008 -1.077 . . . . 0.0 111.124 -174.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -62.13 -38.62 89.65 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.016 -1.074 . . . . 0.0 110.544 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -79.82 -23.37 42.1 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.592 -1.243 . . . . 0.0 110.044 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.81 -28.0 50.2 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.578 -1.249 . . . . 0.0 109.718 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -82.76 -12.85 57.21 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.763 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.2 tpp -81.33 -24.43 37.14 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.095 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.4 mt -120.83 47.5 1.8 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.932 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -152.2 66.72 0.84 Allowed 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 118.904 -1.119 . . . . 0.0 108.48 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -85.65 109.43 18.57 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -112.36 173.18 6.49 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.062 -1.055 . . . . 0.0 108.973 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.3 tptp . . . . . 0 C--O 1.25 1.123 0 C-N-CA 118.756 -1.177 . . . . 0.0 109.068 -179.626 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 121.677 0.751 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.0 p -127.34 168.63 14.54 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.223 -0.991 . . . . 0.0 108.661 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.72 129.81 18.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.762 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.713 ' HG2' ' H ' ' A' ' 5' ' ' PHE . 39.4 ttmt -82.38 175.32 10.34 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.755 -1.178 . . . . 0.0 110.271 -176.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.713 ' H ' ' HG2' ' A' ' 4' ' ' LYS . 53.2 t80 -164.63 86.03 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.838 -1.145 . . . . 0.0 108.932 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -77.92 130.68 36.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.632 -1.227 . . . . 0.0 109.591 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.489 ' CD2' ' HG3' ' A' ' 8' ' ' LYS . 40.0 t80 -85.39 -80.86 0.21 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 118.872 -1.131 . . . . 0.0 108.325 177.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.489 ' HG3' ' CD2' ' A' ' 7' ' ' TYR . 28.7 mtpp -114.95 -69.44 0.86 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.014 -1.074 . . . . 0.0 108.796 174.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.98 29.68 3.88 Favored Glycine 0 N--CA 1.462 0.38 0 C-N-CA 119.1 -1.524 . . . . 0.0 109.847 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -127.79 -171.73 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.161 -1.016 . . . . 0.0 108.922 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -149.26 135.97 19.54 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.443 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.8 mt -137.01 122.24 19.25 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -92.55 162.7 14.09 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.944 -1.103 . . . . 0.0 109.469 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -157.91 132.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 118.903 -1.119 . . . . 0.0 108.757 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -92.0 153.61 19.33 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.832 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mp -65.9 -31.45 53.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 119.455 -0.898 . . . . 0.0 108.983 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 m -72.63 -25.43 61.29 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 118.841 -1.144 . . . . 0.0 111.193 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -82.8 -18.74 39.46 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 118.43 -1.308 . . . . 0.0 110.465 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.9 mt -70.32 108.7 2.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 C-N-CA 118.349 -1.34 . . . . 0.0 108.187 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -93.88 -89.17 0.22 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.903 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -68.66 144.32 54.5 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.855 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.5 135.78 6.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 118.928 -1.109 . . . . 0.0 108.71 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -144.39 169.1 18.58 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.857 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -145.79 85.47 1.7 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.626 -1.229 . . . . 0.0 110.071 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -127.8 82.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 174.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.66 -146.23 12.19 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 118.615 -1.755 . . . . 0.0 110.027 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -89.91 -68.42 0.78 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.468 -178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 59.8 mtt -90.03 165.33 14.09 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.061 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.0 mt -90.34 125.52 43.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 118.927 -1.109 . . . . 0.0 108.867 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.7 t -95.06 162.53 13.68 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.045 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -161.88 170.79 18.82 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.979 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.4 p -125.05 98.83 5.84 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.951 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -79.85 146.26 32.31 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 118.823 -1.151 . . . . 0.0 108.063 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -100.46 90.3 4.25 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.721 -1.192 . . . . 0.0 110.107 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -133.65 81.86 1.95 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.249 -0.981 . . . . 0.0 108.567 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.88 -42.79 0.03 OUTLIER Glycine 0 C--N 1.319 -0.374 0 C-N-CA 118.495 -1.812 . . . . 0.0 110.427 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.68 40.62 90.19 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 118.589 -1.767 . . . . 0.0 108.958 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 137.37 -5.95 3.57 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 -175.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -148.48 76.9 1.38 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.103 -1.039 . . . . 0.0 108.52 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.4 m -64.54 129.73 40.98 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.275 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.13 145.64 17.78 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 118.831 -1.652 . . . . 0.0 110.291 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -113.02 143.02 45.02 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.99 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.41 -167.84 14.82 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 118.812 -1.661 . . . . 0.0 109.786 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.56 164.45 31.99 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 118.601 -1.24 . . . . 0.0 109.431 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.6 p -161.63 136.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.29 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.9 m -67.77 151.94 46.4 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.392 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -98.57 15.91 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.056 -1.057 . . . . 0.0 110.395 -176.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 4.4 ttmp? -95.18 3.79 54.29 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.698 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -159.28 47.34 0.3 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.046 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.06 156.29 42.09 Favored Pre-proline 0 C--N 1.321 -0.643 0 C-N-CA 119.072 -1.051 . . . . 0.0 108.577 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.22 157.55 4.29 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 121.619 1.546 . . . . 0.0 112.028 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -81.83 -10.72 59.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 118.914 -1.115 . . . . 0.0 110.99 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.7 -35.56 81.11 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.657 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -78.93 -25.79 43.68 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.636 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -79.65 -24.13 42.05 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.641 -1.224 . . . . 0.0 109.986 -177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -79.02 -17.72 54.84 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.774 -1.17 . . . . 0.0 109.714 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.0 ttt -66.15 -40.55 90.64 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.894 -1.122 . . . . 0.0 109.849 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.3 mt -99.28 -22.74 15.46 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.17 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -101.04 64.89 1.06 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.192 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.45 94.43 5.57 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.637 -1.225 . . . . 0.0 108.865 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -96.83 175.09 6.48 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.006 -1.078 . . . . 0.0 108.876 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt . . . . . 0 C--O 1.251 1.14 0 C-N-CA 118.751 -1.18 . . . . 0.0 108.973 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 121.895 0.855 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.3 t -158.04 156.4 31.02 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.129 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.7 t -122.21 127.45 75.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.103 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -76.57 94.07 3.68 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.725 -1.19 . . . . 0.0 108.911 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -98.21 82.84 2.99 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.889 -175.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -172.13 2.96 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.651 -1.22 . . . . 0.0 108.715 176.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.485 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 51.6 t80 -143.94 -89.44 0.12 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.699 -1.201 . . . . 0.0 109.021 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 7.0 mmpt? -103.42 -76.68 0.58 Allowed 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.698 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.53 30.42 4.03 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 119.199 -1.477 . . . . 0.0 109.553 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -123.68 -175.13 3.14 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.91 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -147.53 132.82 18.46 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.871 -1.132 . . . . 0.0 108.998 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.39 174.44 9.86 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.104 -1.038 . . . . 0.0 108.216 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -151.34 94.31 2.01 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.285 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -74.61 178.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.885 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -133.9 161.47 34.67 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.748 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.0 tp -80.18 -17.35 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 118.952 -1.099 . . . . 0.0 111.078 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -95.42 -20.33 19.17 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.542 -1.263 . . . . 0.0 111.423 -171.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.652 ' HD3' ' HB3' ' A' ' 34' ' ' ASP . 24.6 ttmm -93.33 -2.14 55.2 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.52 -1.272 . . . . 0.0 110.742 -173.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.6 mt -71.69 118.39 16.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 118.305 -1.358 . . . . 0.0 108.294 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -92.88 -102.95 0.12 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.874 -1.131 . . . . 0.0 110.017 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -74.62 144.17 44.02 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.781 -1.168 . . . . 0.0 110.262 -174.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -150.91 136.89 12.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.7 p90 -143.52 167.95 21.0 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.839 -1.144 . . . . 0.0 109.733 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.718 ' HG2' ' CD1' ' A' ' 29' ' ' ILE . 4.4 tmt_? -138.85 120.69 15.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -159.01 35.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.825 1.298 . . . . 0.0 108.303 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.08 -143.96 4.32 Favored Glycine 0 C--N 1.319 -0.395 0 C-N-CA 118.739 -1.696 . . . . 0.0 110.124 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -84.07 -73.91 0.4 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 118.921 -1.111 . . . . 0.0 109.339 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.9 mtt -82.82 155.39 24.21 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.728 -1.189 . . . . 0.0 109.355 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.718 ' CD1' ' HG2' ' A' ' 24' ' ' ARG . 49.6 mm -89.96 127.21 42.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.044 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.6 t -94.25 161.85 14.09 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.36 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -162.77 162.76 26.82 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.996 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.7 p -123.4 91.05 3.39 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.94 -1.104 . . . . 0.0 109.269 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -76.71 144.81 39.08 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.763 -1.175 . . . . 0.0 108.41 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.652 ' HB3' ' HD3' ' A' ' 18' ' ' LYS . 34.3 t70 -82.21 137.49 34.89 Favored 'General case' 0 C--N 1.319 -0.717 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.616 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -164.1 89.08 0.54 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.131 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.94 -37.02 2.23 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 118.935 -1.602 . . . . 0.0 110.185 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.09 48.47 19.89 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 118.617 -1.754 . . . . 0.0 109.725 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.72 -15.39 0.15 Allowed Glycine 0 CA--C 1.52 0.362 0 C-N-CA 118.773 -1.679 . . . . 0.0 109.769 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -115.44 -39.72 3.53 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.171 -1.011 . . . . 0.0 108.867 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 m 57.79 98.38 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.075 0.941 . . . . 0.0 110.343 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.78 152.71 49.36 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 118.671 -1.728 . . . . 0.0 110.048 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -133.79 122.78 23.77 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.113 -1.035 . . . . 0.0 109.219 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.89 -161.67 9.52 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 119.046 -1.55 . . . . 0.0 109.514 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.84 167.22 23.1 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 118.573 -1.251 . . . . 0.0 109.538 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 p -160.25 135.66 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.302 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -66.61 145.71 55.3 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.681 -1.208 . . . . 0.0 108.925 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -100.98 36.36 1.98 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.938 -1.105 . . . . 0.0 109.254 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -82.6 -23.37 34.41 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.896 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -151.03 61.31 0.91 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.975 -1.09 . . . . 0.0 108.458 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 154.53 64.59 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 118.877 -1.129 . . . . 0.0 108.551 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.92 147.03 10.86 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 C-N-CA 121.503 1.469 . . . . 0.0 111.333 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -74.93 -23.88 58.4 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.59 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.28 -31.2 70.49 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.234 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 54' ' ' LEU . 2.6 tt -77.03 -29.68 55.41 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.736 -1.185 . . . . 0.0 108.51 -178.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.2 -30.74 63.73 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.661 -1.216 . . . . 0.0 110.099 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -86.09 -5.29 59.24 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.669 -1.212 . . . . 0.0 110.055 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 ttt -91.39 -27.85 18.06 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.844 -1.143 . . . . 0.0 110.139 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.97 24.51 8.25 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.522 -1.271 . . . . 0.0 110.299 -174.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -133.6 66.46 1.55 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.124 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -89.57 111.54 22.5 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.712 -1.195 . . . . 0.0 108.543 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -115.75 -108.73 0.37 Allowed 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 118.98 -1.088 . . . . 0.0 109.064 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.9 tptm . . . . . 0 C--O 1.25 1.107 0 C-N-CA 118.632 -1.227 . . . . 0.0 109.154 -178.915 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.515 0 CA-C-O 121.661 0.743 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.2 p -129.64 138.08 51.02 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.815 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.8 t -89.4 125.57 42.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 118.787 -1.165 . . . . 0.0 108.335 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -115.04 94.75 4.88 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.066 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -91.36 135.54 33.75 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.017 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -107.43 -173.93 2.41 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.146 -1.022 . . . . 0.0 109.403 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -144.92 -81.28 0.16 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.967 -1.093 . . . . 0.0 109.076 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.61 -78.08 0.59 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.962 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.09 24.92 5.0 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 119.042 -1.551 . . . . 0.0 110.093 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -127.43 177.68 6.58 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.45 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 134.91 13.72 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.694 -1.203 . . . . 0.0 109.592 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 mp -118.85 168.05 11.13 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.38 133.78 26.41 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.993 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -128.15 146.16 34.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.214 -0.995 . . . . 0.0 109.296 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.406 ' HB3' ' CB ' ' A' ' 18' ' ' LYS . 23.7 t0 -87.11 145.33 26.48 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.026 -1.069 . . . . 0.0 109.045 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -72.27 -34.98 51.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.653 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -85.23 -4.97 59.34 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.685 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 24.4 ttmm -93.86 0.83 56.4 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.976 -1.09 . . . . 0.0 110.152 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.1 mt -82.22 127.4 39.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 C-N-CA 118.679 -1.209 . . . . 0.0 108.886 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -125.81 154.28 42.84 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.895 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm 57.27 93.32 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.803 0.811 . . . . 0.0 110.379 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.23 148.1 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.009 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.0 p90 -151.92 146.67 25.81 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.738 -1.185 . . . . 0.0 109.018 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -114.21 121.21 43.02 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.076 -1.049 . . . . 0.0 110.14 -175.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 m -130.36 -172.6 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 175.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.841 ' O ' ' HB2' ' A' ' 27' ' ' LYS . . . -79.32 88.64 1.2 Allowed Glycine 0 CA--C 1.521 0.419 0 C-N-CA 118.724 -1.703 . . . . 0.0 110.334 -179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.841 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 62.0 tttm 154.0 73.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.539 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.8 mmt 60.08 -177.29 0.1 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.914 0.864 . . . . 0.0 110.405 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.2 mm -107.11 121.05 59.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.615 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.5 p -101.86 159.96 14.89 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.147 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -165.24 168.95 16.51 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 118.734 -1.187 . . . . 0.0 109.484 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.504 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 68.4 p -126.4 89.64 3.04 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.134 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -69.6 143.84 53.18 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 118.528 -1.269 . . . . 0.0 108.587 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -86.86 138.25 31.73 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.559 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -165.51 76.46 0.25 Allowed 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 119.08 -1.048 . . . . 0.0 108.472 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 153.3 -35.33 0.76 Allowed Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.803 -1.665 . . . . 0.0 109.898 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.94 -14.96 57.17 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 118.985 -1.578 . . . . 0.0 110.019 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.13 37.61 0.26 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.78 -1.676 . . . . 0.0 110.024 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -147.06 -40.06 0.19 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.3 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.0 p 53.0 -168.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.111 0.958 . . . . 0.0 110.731 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 32' ' ' THR . . . -157.93 135.18 4.2 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.787 -1.673 . . . . 0.0 109.951 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -97.75 146.62 25.2 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.998 -1.081 . . . . 0.0 109.197 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.6 -173.73 30.61 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 118.794 -1.67 . . . . 0.0 109.755 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.42 153.7 17.89 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 118.606 -1.238 . . . . 0.0 109.47 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 p -161.91 136.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 C-N-CA 118.821 -1.152 . . . . 0.0 108.416 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.9 p -65.5 150.45 48.36 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.486 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -89.85 -1.83 58.07 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.133 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -76.29 -28.58 57.05 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.741 -1.183 . . . . 0.0 109.314 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.53 47.46 0.88 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.715 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.36 154.69 43.61 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.91 166.64 29.45 Favored 'Trans proline' 0 C--N 1.326 -0.612 0 C-N-CA 121.235 1.29 . . . . 0.0 109.737 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -27.25 61.19 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.936 -1.106 . . . . 0.0 110.377 -174.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -68.43 -32.77 73.05 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 118.738 -1.185 . . . . 0.0 110.423 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 54' ' ' LEU . 4.1 tt -78.8 -33.33 46.29 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 118.548 -1.261 . . . . 0.0 108.587 -177.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -81.27 -24.29 37.39 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.611 -1.236 . . . . 0.0 110.277 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -97.22 23.13 7.74 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.769 -1.172 . . . . 0.0 109.419 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.4 tpp -116.79 -24.12 7.83 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.084 -1.046 . . . . 0.0 109.187 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -127.3 -26.71 3.03 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.669 -1.212 . . . . 0.0 111.278 -176.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -90.71 71.77 6.71 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.459 -1.296 . . . . 0.0 110.875 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.26 106.14 5.76 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 118.61 -1.236 . . . . 0.0 108.027 171.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -124.02 156.38 36.58 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.081 -1.048 . . . . 0.0 108.875 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.0 mttm . . . . . 0 C--O 1.25 1.107 0 C-N-CA 119.103 -1.039 . . . . 0.0 108.888 -179.874 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.572 0 CA-C-O 121.726 0.774 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.8 p -126.95 151.92 47.86 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.754 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.8 t -120.68 128.36 76.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.38 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -90.59 113.39 25.39 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.335 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -98.75 102.14 13.78 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.106 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.677 ' HG2' ' H ' ' A' ' 8' ' ' LYS . 41.0 ttmt -88.48 141.76 28.27 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.963 -1.095 . . . . 0.0 109.666 -178.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 1.267 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 68.3 t80 -127.03 18.64 7.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.247 1.022 . . . . 0.0 108.521 178.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 1.267 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 25.5 pttm 60.86 26.88 16.72 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.708 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.55 -50.7 0.02 OUTLIER Glycine 0 CA--C 1.521 0.46 0 C-N-CA 119.103 -1.522 . . . . 0.0 109.689 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -148.83 136.4 20.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.232 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.36 101.95 10.14 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.691 -1.204 . . . . 0.0 109.372 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.5 109.83 20.97 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.171 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -82.89 105.67 14.09 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 118.882 -1.127 . . . . 0.0 108.663 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.4 m -81.91 175.41 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 118.783 -1.167 . . . . 0.0 108.996 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.844 ' OD2' ' HG3' ' A' ' 18' ' ' LYS . 24.7 t0 -116.3 143.32 45.68 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.111 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.7 tt -81.09 -16.77 12.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.001 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.0 m -98.34 0.76 46.12 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.095 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.844 ' HG3' ' OD2' ' A' ' 15' ' ' ASP . 29.3 mtpp -105.81 8.02 32.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.797 -1.161 . . . . 0.0 109.736 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.9 mt -91.44 82.89 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.946 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.72 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -88.4 138.1 31.74 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.604 177.239 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.72 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 49.7 mmtm 73.47 116.52 0.05 Allowed 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.581 -1.248 . . . . 0.0 108.832 -178.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.31 137.93 33.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 119.044 -1.062 . . . . 0.0 108.552 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 43.1 p90 -149.46 131.16 15.0 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.813 -1.155 . . . . 0.0 108.906 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -106.01 139.72 40.11 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.402 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -163.72 132.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 118.98 -1.088 . . . . 0.0 108.561 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.6 -130.72 10.45 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.841 -1.647 . . . . 0.0 109.786 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HD2' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -136.16 18.59 3.19 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.788 -1.165 . . . . 0.0 111.684 -178.37 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.742 ' HG3' ' HA ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -135.95 156.36 48.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 163.67 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.2 mt -91.12 124.8 43.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 118.776 -1.17 . . . . 0.0 109.032 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -105.53 157.01 17.68 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.111 -1.035 . . . . 0.0 108.972 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -164.9 -177.01 4.46 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.238 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.2 t -142.64 121.76 12.94 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.639 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -92.86 -173.27 3.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -149.15 122.09 8.78 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.417 -1.313 . . . . 0.0 110.083 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.1 29.32 3.73 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.126 176.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.5 -85.94 0.06 OUTLIER Glycine 0 CA--C 1.521 0.418 0 C-N-CA 118.787 -1.673 . . . . 0.0 110.257 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.09 -66.45 0.06 OUTLIER Glycine 0 CA--C 1.52 0.368 0 C-N-CA 118.788 -1.673 . . . . 0.0 109.863 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.61 -14.94 64.6 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 118.922 -1.609 . . . . 0.0 109.472 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 40' ' ' THR . 41.3 ttmt -150.78 103.02 3.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 28.5 m 63.26 74.7 0.42 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 123.432 2.833 . . . . 0.0 111.817 4.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.49 -172.17 38.05 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 119.04 -1.552 . . . . 0.0 110.037 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.09 93.15 2.8 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.137 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.57 -173.39 36.69 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 118.895 -1.621 . . . . 0.0 109.842 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.18 169.47 24.08 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.733 -1.187 . . . . 0.0 109.123 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 p -162.05 136.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.493 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.742 ' HA ' ' HG3' ' A' ' 28' ' ' MET . 47.0 t -67.58 152.38 45.73 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.504 -178.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.15 10.63 37.09 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.093 -1.043 . . . . 0.0 110.005 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -81.33 -27.47 34.94 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.384 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -134.71 35.0 3.15 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.324 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.88 154.32 64.39 Favored Pre-proline 0 C--N 1.321 -0.65 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.454 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.31 143.09 35.09 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 121.45 1.433 . . . . 0.0 111.694 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.76 -26.94 50.17 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.778 -1.169 . . . . 0.0 110.427 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -76.32 -14.57 60.1 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.739 -1.184 . . . . 0.0 110.778 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 54' ' ' LEU . 4.8 tt -83.64 -33.86 25.17 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.499 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.61 -34.05 58.38 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.68 -1.208 . . . . 0.0 110.447 -174.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -84.05 -10.44 57.85 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.598 -1.241 . . . . 0.0 110.224 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.5 tpp -84.53 -22.42 30.16 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.744 -1.182 . . . . 0.0 109.373 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.8 mt -120.93 37.54 4.29 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.801 -1.159 . . . . 0.0 109.785 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -166.48 74.42 0.17 Allowed 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 118.44 -1.304 . . . . 0.0 109.093 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.66 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 64.3 pttt -63.38 105.08 0.69 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.428 -1.309 . . . . 0.0 107.723 174.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -112.83 92.98 4.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.596 -168.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.151 0 C-N-CA 118.568 -1.253 . . . . 0.0 108.109 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 121.601 0.715 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.1 p -127.21 152.01 47.95 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.183 -1.007 . . . . 0.0 108.856 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.8 t -106.94 127.97 62.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 119.121 -1.032 . . . . 0.0 108.526 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -93.5 157.48 16.18 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.286 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -163.04 80.54 0.47 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.929 -1.108 . . . . 0.0 108.637 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 20.2 ptpt -73.77 132.92 43.12 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.702 -177.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -77.27 -88.34 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.169 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -106.63 -73.98 0.67 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 119.154 -1.018 . . . . 0.0 108.34 173.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.47 20.37 7.42 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.033 -1.556 . . . . 0.0 109.906 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -120.46 130.67 54.41 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.114 -1.035 . . . . 0.0 108.476 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -81.87 156.08 25.01 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.088 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -153.06 121.78 6.43 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.866 -1.134 . . . . 0.0 108.639 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -107.68 167.66 9.8 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.523 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.6 p -160.74 132.47 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.603 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -73.41 145.91 45.47 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 118.623 -1.231 . . . . 0.0 108.755 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.21 -32.49 38.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 118.92 -1.112 . . . . 0.0 110.228 -174.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -84.65 -6.44 59.36 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.716 -1.194 . . . . 0.0 110.558 -175.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.9 ttpt -89.66 -15.31 32.93 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.019 -1.072 . . . . 0.0 109.369 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.2 mt -68.14 106.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 118.958 -1.097 . . . . 0.0 108.866 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.626 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 61.9 mttp -102.14 147.42 26.64 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.105 -1.038 . . . . 0.0 109.177 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.626 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 76.0 mmtt 69.99 92.24 0.09 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.707 -1.197 . . . . 0.0 109.084 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.4 m -124.61 141.61 44.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 119.007 -1.077 . . . . 0.0 109.012 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 41.8 p90 -155.37 132.09 10.57 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.898 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -107.85 121.6 45.09 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.908 -1.117 . . . . 0.0 109.55 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 m -136.98 141.92 39.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.488 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 27' ' ' LYS . . . 81.21 -87.4 1.37 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.767 -1.682 . . . . 0.0 110.275 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 55.8 mtmt -155.96 -63.58 0.11 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.257 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.474 ' SD ' ' N ' ' A' ' 28' ' ' MET . 2.1 mpt? -67.77 159.76 29.57 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.802 -1.159 . . . . 0.0 108.762 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -103.61 117.96 49.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 118.998 -1.081 . . . . 0.0 108.511 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.2 m -94.92 156.37 16.37 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.01 -1.076 . . . . 0.0 108.705 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -165.47 174.55 9.87 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.515 -1.274 . . . . 0.0 109.864 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.1 p -124.67 151.34 45.07 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -142.29 143.18 32.69 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.849 -1.14 . . . . 0.0 109.537 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -86.08 145.62 26.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.042 -1.063 . . . . 0.0 108.496 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.75 ' H ' ' CA ' ' A' ' 36' ' ' GLY . 13.1 pt-20 -137.3 -22.35 1.15 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -177.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.75 ' CA ' ' H ' ' A' ' 35' ' ' GLU . . . -174.71 -107.45 0.21 Allowed Glycine 0 N--CA 1.462 0.423 0 CA-C-N 123.596 2.907 . . . . 0.0 108.586 -0.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.88 -71.85 2.36 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 118.921 -1.609 . . . . 0.0 110.522 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.12 51.43 0.34 Allowed Glycine 0 C--N 1.319 -0.405 0 C-N-CA 118.826 -1.654 . . . . 0.0 109.916 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -134.23 -38.78 0.85 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.121 -1.032 . . . . 0.0 108.686 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.9 m 55.2 86.14 0.06 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.134 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.95 172.3 37.16 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.724 -1.703 . . . . 0.0 110.211 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -155.27 144.49 20.97 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.986 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.52 -155.82 8.6 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 118.672 -1.728 . . . . 0.0 109.867 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.55 167.75 20.95 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 118.694 -1.203 . . . . 0.0 109.42 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 p -157.44 132.22 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 118.814 -1.154 . . . . 0.0 108.378 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.6 m -71.5 152.63 42.85 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 118.644 -1.222 . . . . 0.0 109.286 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.37 -12.79 59.91 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.556 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -70.13 -32.28 70.21 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.703 -1.199 . . . . 0.0 109.768 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -124.12 56.85 1.24 Allowed 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.242 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -118.97 153.69 52.83 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.531 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.37 147.82 27.83 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.517 1.478 . . . . 0.0 111.665 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -78.48 -26.23 45.97 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 118.751 -1.18 . . . . 0.0 110.355 -174.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -74.77 -20.07 59.95 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.729 -1.188 . . . . 0.0 110.169 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.474 ' O ' HD23 ' A' ' 54' ' ' LEU . 4.2 tt -77.02 -31.57 56.43 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.058 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.07 -31.79 68.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.836 -1.146 . . . . 0.0 109.651 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -77.61 -21.26 52.59 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.746 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.9 ttt -72.95 -29.68 63.28 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.672 -1.211 . . . . 0.0 108.861 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.989 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . 94.8 mt -132.39 84.01 2.12 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 175.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.989 ' HB3' ' HA ' ' A' ' 58' ' ' LEU . 12.5 pt-20 178.34 -171.9 0.12 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 120.75 -1.219 . . . . 0.0 109.12 1.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -129.1 154.88 46.26 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.093 -1.043 . . . . 0.0 108.577 175.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -132.45 173.33 11.41 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 118.98 -1.088 . . . . 0.0 108.849 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 C-N-CA 118.706 -1.198 . . . . 0.0 109.494 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 121.762 0.791 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t -159.56 159.05 32.84 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.34 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.0 t -126.78 128.81 71.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.394 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 58.7 pttt -121.15 113.9 20.67 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.621 177.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -99.77 129.2 45.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.881 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.503 ' H ' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -97.39 132.64 42.92 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.787 -1.165 . . . . 0.0 109.579 -179.449 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -167.16 97.7 0.51 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.904 -1.118 . . . . 0.0 108.607 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.948 ' HB2' ' CA ' ' A' ' 9' ' ' GLY . 75.9 mmtt -68.82 -66.2 0.6 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 119.539 -1.975 . . . . 0.0 110.691 0.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.948 ' CA ' ' HB2' ' A' ' 8' ' ' LYS . . . 150.51 -61.09 0.42 Allowed Glycine 0 N--CA 1.463 0.467 0 N-CA-C 107.418 -2.273 . . . . 0.0 107.418 -8.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -137.45 138.1 39.43 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 173.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -69.41 134.78 49.42 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.62 -1.232 . . . . 0.0 109.301 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -142.48 91.48 2.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 4' ' ' LYS . 26.3 tt0 -99.92 130.85 46.14 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.826 -176.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.94 138.68 52.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.15 159.04 27.11 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.12 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.6 pt -90.01 -3.07 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.17 -1.012 . . . . 0.0 110.79 -175.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.0 p -88.15 -10.01 51.32 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.441 -175.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -93.4 -1.44 55.82 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.886 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.4 mt -78.43 129.58 37.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 118.556 -1.258 . . . . 0.0 107.732 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.713 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 25.3 pttm -147.53 -0.93 0.63 Allowed 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 118.538 -1.265 . . . . 0.0 110.056 -177.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.909 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 2.8 mmmp? -132.11 100.42 5.04 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.828 -1.149 . . . . 0.0 109.071 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.48 144.15 37.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.246 -0.982 . . . . 0.0 108.931 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -149.73 138.7 21.1 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.954 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -93.96 118.42 31.46 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.885 -171.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -163.21 130.44 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 118.999 -1.08 . . . . 0.0 108.484 173.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.11 -168.64 32.68 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 118.76 -1.686 . . . . 0.0 110.328 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.701 ' HG3' ' HG3' ' A' ' 28' ' ' MET . 21.9 ptmt -86.67 -13.34 45.79 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.996 -1.082 . . . . 0.0 110.639 -177.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.701 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 63.1 mtt -122.4 161.65 23.08 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 118.758 -1.177 . . . . 0.0 109.395 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mm -101.44 131.5 49.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 119.079 -1.049 . . . . 0.0 108.992 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -101.41 164.73 11.62 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.988 -1.085 . . . . 0.0 108.99 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -164.74 166.56 19.79 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.662 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.909 ' OG1' ' HB2' ' A' ' 21' ' ' LYS . 73.9 p -124.81 86.44 2.56 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.177 -178.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -69.94 144.84 52.28 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 118.44 -1.304 . . . . 0.0 108.07 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -91.06 118.93 30.8 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.486 -1.286 . . . . 0.0 110.504 -174.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -164.87 77.13 0.31 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.467 ' HA3' ' HD2' ' A' ' 39' ' ' LYS . . . -179.75 -46.43 0.08 OUTLIER Glycine 0 CA--C 1.52 0.354 0 C-N-CA 118.594 -1.765 . . . . 0.0 110.425 -177.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.55 38.6 57.51 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 118.641 -1.742 . . . . 0.0 109.477 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.7 -15.13 0.71 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HD2' ' HA3' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -157.71 71.64 0.63 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.019 -1.073 . . . . 0.0 109.026 179.063 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.4 p -59.83 161.28 6.58 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.782 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.09 167.51 23.94 Favored Glycine 0 C--N 1.32 -0.327 0 C-N-CA 118.891 -1.623 . . . . 0.0 110.201 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -131.22 141.48 50.04 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.143 -1.023 . . . . 0.0 108.946 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.39 177.99 21.24 Favored Glycine 0 N--CA 1.461 0.355 0 C-N-CA 118.92 -1.609 . . . . 0.0 109.771 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.03 143.17 13.84 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.187 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.3 p -161.5 136.24 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 118.772 -1.171 . . . . 0.0 108.226 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.6 t -67.04 157.07 34.42 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.693 -1.203 . . . . 0.0 109.643 -177.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -91.81 12.14 22.44 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.152 -1.019 . . . . 0.0 110.083 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -75.21 -26.6 59.09 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.649 -1.22 . . . . 0.0 109.478 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -134.89 71.33 1.44 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.031 -1.067 . . . . 0.0 108.874 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.7 153.96 76.17 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.254 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -56.76 156.28 23.76 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.306 1.337 . . . . 0.0 111.985 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -26.64 60.04 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.119 -1.032 . . . . 0.0 110.211 -175.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.42 -34.54 78.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.423 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.46 -34.71 65.51 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.264 -1.375 . . . . 0.0 108.968 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.53 -32.97 54.37 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.733 -175.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -80.8 -18.39 47.7 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 118.769 -1.172 . . . . 0.0 109.76 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.4 tpp -80.19 -30.9 38.78 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.705 -1.198 . . . . 0.0 110.071 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.9 mt -106.86 -29.34 9.55 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.605 -1.238 . . . . 0.0 110.894 -173.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -93.09 71.35 4.59 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.691 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -92.18 137.12 32.63 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.757 -1.177 . . . . 0.0 108.551 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -122.03 -136.35 0.31 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.924 -1.11 . . . . 0.0 108.695 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 C-N-CA 118.723 -1.191 . . . . 0.0 109.673 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 121.755 0.788 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -162.52 164.63 26.83 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.691 -1.204 . . . . 0.0 109.103 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.3 t -122.85 102.08 10.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 119.074 -1.05 . . . . 0.0 108.755 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.71 168.94 6.98 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.179 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -159.76 80.73 0.72 Allowed 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.667 -1.213 . . . . 0.0 109.48 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 14.8 ptmm? -76.83 158.28 30.93 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.728 -1.189 . . . . 0.0 108.911 178.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -101.8 -96.7 0.28 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.875 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' H ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -107.27 -34.2 7.18 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 118.404 -1.318 . . . . 0.0 109.592 176.587 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.73 31.86 0.75 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 118.82 -1.657 . . . . 0.0 109.961 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 45.2 mt-10 -128.9 -176.13 3.76 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.109 -1.036 . . . . 0.0 108.826 -179.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -141.94 131.05 23.28 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.994 -1.083 . . . . 0.0 108.766 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.19 167.27 18.67 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.05 -1.06 . . . . 0.0 108.368 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -152.76 131.65 12.49 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.808 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -139.57 132.7 36.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.97 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.11 159.45 18.9 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.917 -1.113 . . . . 0.0 108.253 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.24 -29.05 41.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.241 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.5 p -80.76 -4.43 54.51 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.833 -1.147 . . . . 0.0 110.81 -177.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -98.81 12.77 34.66 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.448 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mt -120.17 137.01 55.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.31 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -124.69 -44.09 1.98 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.878 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.515 ' HA ' ' HB ' ' A' ' 22' ' ' VAL . 31.6 tttt -137.49 116.59 12.52 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 -178.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.515 ' HB ' ' HA ' ' A' ' 21' ' ' LYS 0.259 58.2 t 68.38 82.44 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 124.283 3.219 . . . . 0.0 112.336 3.119 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.4 p90 -164.27 131.12 3.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 113.627 -1.624 . . . . 0.0 106.872 168.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.532 ' HG3' ' HA ' ' A' ' 29' ' ' ILE . 4.1 mmp_? -148.14 176.14 10.46 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.522 -1.271 . . . . 0.0 110.75 -177.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -163.58 24.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.43 -113.82 0.36 Allowed Glycine 0 CA--C 1.519 0.329 0 C-N-CA 118.578 -1.773 . . . . 0.0 111.514 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 1.026 ' HG2' ' HG3' ' A' ' 28' ' ' MET . 24.2 ttmm -95.12 147.54 23.33 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.083 -170.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . 1.026 ' HG3' ' HG2' ' A' ' 27' ' ' LYS . 84.1 mtp 62.22 -177.35 0.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.784 172.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.532 ' HA ' ' HG3' ' A' ' 24' ' ' ARG . 4.2 mp -128.08 121.01 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.408 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.0 m -93.68 142.11 27.72 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.3 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.468 ' HA ' ' H ' ' A' ' 22' ' ' VAL . 55.1 p90 -158.04 148.84 20.79 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.355 -1.338 . . . . 0.0 110.095 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.801 HG22 ' HG3' ' A' ' 42' ' ' ARG . 70.5 p -126.6 95.9 4.5 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.21 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -73.33 170.38 15.16 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.74 -1.184 . . . . 0.0 108.631 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -137.03 122.77 19.9 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.717 -1.193 . . . . 0.0 109.591 -178.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -159.76 77.52 0.68 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 118.626 -1.23 . . . . 0.0 109.816 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.05 123.27 0.86 Allowed Glycine 0 N--CA 1.463 0.481 0 O-C-N 120.083 -1.636 . . . . 0.0 109.725 0.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.22 67.46 0.9 Allowed Glycine 0 CA--C 1.52 0.361 0 C-N-CA 118.985 -1.579 . . . . 0.0 110.33 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.3 -20.06 33.4 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 119.033 -1.556 . . . . 0.0 110.594 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -82.03 -81.64 0.14 Allowed 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.589 -1.244 . . . . 0.0 109.221 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 m 57.1 91.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.804 0.812 . . . . 0.0 110.482 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.49 139.07 14.75 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 118.847 -1.644 . . . . 0.0 110.169 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.801 ' HG3' HG22 ' A' ' 32' ' ' THR . 0.5 OUTLIER -90.22 150.38 22.0 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.033 -1.067 . . . . 0.0 108.392 179.347 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.46 172.72 36.92 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 118.793 -1.67 . . . . 0.0 110.019 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.22 164.57 27.65 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.73 -1.188 . . . . 0.0 109.212 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.4 p -162.93 135.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 118.8 -1.16 . . . . 0.0 108.364 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -71.96 160.3 32.76 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 118.646 -1.222 . . . . 0.0 109.634 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.07 24.58 5.47 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.173 -1.011 . . . . 0.0 110.776 -177.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -93.85 -4.04 50.79 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.578 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -163.77 53.82 0.16 Allowed 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 118.835 -1.146 . . . . 0.0 108.481 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.75 152.17 40.74 Favored Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.002 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.54 151.87 22.92 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.458 1.438 . . . . 0.0 111.602 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -81.73 -13.53 57.69 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.844 -1.142 . . . . 0.0 109.78 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.23 -33.0 74.95 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.577 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.56 -34.23 62.88 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.512 -1.275 . . . . 0.0 108.958 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.7 mt -77.56 -30.04 52.46 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 118.486 -1.286 . . . . 0.0 109.84 -176.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -83.83 -17.35 41.28 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 118.639 -1.225 . . . . 0.0 109.845 -177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 tpt -97.02 -25.04 15.51 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.689 -1.204 . . . . 0.0 110.606 -174.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.5 mt -126.1 21.76 7.38 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 118.328 -1.349 . . . . 0.0 111.244 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 60' ' ' LYS . 78.5 mm-40 -131.55 -32.17 1.53 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.65 -1.22 . . . . 0.0 108.527 174.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 59' ' ' GLU . 75.8 mmtt 65.58 95.04 0.06 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 118.884 -1.126 . . . . 0.0 109.355 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -102.17 -114.51 0.2 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 118.95 -1.1 . . . . 0.0 108.682 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm . . . . . 0 C--O 1.249 1.07 0 C-N-CA 118.77 -1.172 . . . . 0.0 109.079 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 121.654 0.74 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.0 p -129.97 134.23 47.31 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.587 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t -81.92 121.75 35.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.299 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -106.51 81.55 1.61 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.255 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -84.38 134.11 34.49 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 118.899 -1.12 . . . . 0.0 108.954 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 175.75 7.63 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.442 -178.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -137.04 -80.01 0.39 Allowed 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.464 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -110.92 -76.13 0.61 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.489 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.97 37.03 2.06 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 119.059 -1.543 . . . . 0.0 109.971 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -147.29 109.56 4.54 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.81 -1.156 . . . . 0.0 109.08 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.22 149.46 23.84 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.056 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -133.99 148.29 51.1 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.413 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -116.27 156.92 25.77 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.31 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -159.69 133.16 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 118.749 -1.181 . . . . 0.0 108.799 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.845 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 7.5 m-20 -87.74 154.63 20.41 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.21 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.61 -42.15 94.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.479 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -88.8 4.89 46.06 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 118.777 -1.169 . . . . 0.0 110.465 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.845 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 6.2 tmtt? -91.34 -19.32 23.06 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.002 -1.079 . . . . 0.0 108.538 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.6 mt -69.48 128.51 33.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 118.884 -1.126 . . . . 0.0 108.707 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.733 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 59.2 mtpt -123.6 137.7 54.69 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 118.884 -1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.733 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 28.6 mtpp 76.21 132.8 0.05 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.24 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -162.52 137.6 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 118.686 -1.206 . . . . 0.0 108.734 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -144.76 130.58 19.17 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.824 -1.15 . . . . 0.0 108.989 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -95.63 127.21 41.47 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.024 -1.071 . . . . 0.0 110.135 -175.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.6 p -164.3 130.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.49 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.9 -154.48 29.3 Favored Glycine 0 C--N 1.319 -0.373 0 C-N-CA 118.746 -1.692 . . . . 0.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -83.15 -77.24 0.25 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.908 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 28' ' ' MET . 2.1 mpt? -69.68 141.82 53.5 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.201 -175.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.3 mm -87.71 131.43 35.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 118.947 -1.101 . . . . 0.0 108.849 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 m -97.05 164.55 12.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.711 -178.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -166.68 173.3 9.77 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.095 -1.042 . . . . 0.0 108.625 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.3 p -127.75 95.07 4.11 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.869 -1.132 . . . . 0.0 109.407 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -78.32 131.79 37.17 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.236 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -92.25 124.09 36.07 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.772 -1.171 . . . . 0.0 110.796 -173.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -137.71 -59.07 0.67 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 122.107 0.956 . . . . 0.0 108.55 175.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.13 -42.74 94.27 Favored Glycine 0 C--N 1.317 -0.507 0 C-N-CA 119.195 -1.479 . . . . 0.0 110.609 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.89 -68.49 2.0 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 118.862 -1.637 . . . . 0.0 109.02 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.73 -25.97 43.98 Favored Glycine 0 C--N 1.32 -0.36 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 174.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -117.57 64.31 0.74 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.296 -0.962 . . . . 0.0 108.551 176.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.6 m -59.68 132.36 53.72 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.677 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.51 137.95 14.19 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 118.809 -1.663 . . . . 0.0 110.324 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -110.14 144.51 38.67 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.01 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.73 -171.96 20.06 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 118.813 -1.66 . . . . 0.0 109.983 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.89 159.04 23.29 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.525 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -161.44 140.83 2.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 118.859 -1.136 . . . . 0.0 108.356 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -62.9 147.18 51.05 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.503 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -97.72 9.05 43.57 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.111 -1.036 . . . . 0.0 110.073 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -80.78 -26.27 37.34 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.656 -1.218 . . . . 0.0 109.64 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -128.54 30.7 5.11 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.56 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.43 157.55 58.55 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 118.821 -1.151 . . . . 0.0 108.32 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -49.79 155.13 4.22 Favored 'Trans proline' 0 C--N 1.329 -0.478 0 C-N-CA 121.52 1.48 . . . . 0.0 112.182 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -79.22 -16.97 55.7 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.862 -1.135 . . . . 0.0 110.675 -174.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.92 -32.17 72.45 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 118.891 -1.123 . . . . 0.0 109.998 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.5 mt -75.51 -28.71 59.25 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.666 -1.214 . . . . 0.0 109.609 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.24 -35.46 68.84 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.301 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -85.15 -14.16 47.87 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.853 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.5 tpp -83.75 -17.75 40.13 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.137 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.984 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 82.9 mt -131.77 89.66 2.73 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.984 ' CG ' ' HA ' ' A' ' 58' ' ' LEU . 46.6 mt-10 -158.97 158.64 33.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 120.123 -1.611 . . . . 0.0 107.784 -0.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -113.36 123.06 49.22 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 172.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -125.39 85.28 2.38 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.936 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? . . . . . 0 C--O 1.249 1.078 0 C-N-CA 118.659 -1.216 . . . . 0.0 108.238 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.1 p -129.48 164.22 24.19 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 81.8 t -124.78 125.04 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -78.07 147.61 34.65 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.731 -1.187 . . . . 0.0 108.882 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -160.91 76.75 0.56 Allowed 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.707 -1.197 . . . . 0.0 109.134 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 20.1 ptpt -77.76 128.01 33.34 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.769 -1.173 . . . . 0.0 109.199 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -77.24 -57.25 3.94 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.67 -1.212 . . . . 0.0 108.784 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -136.62 -98.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.05 20.09 44.37 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.073 -1.061 . . . . 0.0 110.825 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -130.22 111.05 12.04 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.56 138.71 51.16 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 118.735 -1.186 . . . . 0.0 109.435 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -135.19 152.65 51.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -130.87 144.15 51.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.66 135.36 63.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -84.82 146.36 27.38 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.718 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mp -78.35 -29.63 15.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.415 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.3 m -82.09 -21.53 36.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.893 -175.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -85.37 -15.8 41.96 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.815 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.5 mt -78.5 96.32 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -85.15 -54.74 4.43 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.42 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 1.172 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 75.7 mmtt -71.19 125.66 27.51 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.837 -1.145 . . . . 0.0 108.776 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -160.16 132.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.788 -1.165 . . . . 0.0 108.65 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -153.13 130.73 11.49 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.201 -0.999 . . . . 0.0 108.815 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -81.71 128.04 33.56 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.926 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.9 p -160.36 131.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 118.896 -1.121 . . . . 0.0 108.485 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.45 -164.27 52.67 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 118.657 -1.735 . . . . 0.0 110.003 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -50.32 10.55 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.481 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -77.45 124.37 27.8 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.708 -1.197 . . . . 0.0 109.193 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.8 mm -78.12 116.79 22.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 118.927 -1.109 . . . . 0.0 108.129 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.0 m -80.25 158.65 26.14 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.936 -1.106 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -161.72 167.6 24.74 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 118.798 -1.161 . . . . 0.0 108.977 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 1.172 ' OG1' ' HB2' ' A' ' 21' ' ' LYS . 44.7 p -129.11 92.68 3.43 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -76.46 128.95 35.8 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 118.861 -1.136 . . . . 0.0 109.112 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -80.21 123.01 27.55 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.403 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -162.27 81.0 0.53 Allowed 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.712 -1.195 . . . . 0.0 108.554 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.19 -33.49 0.38 Allowed Glycine 0 CA--C 1.52 0.406 0 C-N-CA 118.7 -1.714 . . . . 0.0 109.945 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.5 30.7 48.3 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 118.715 -1.707 . . . . 0.0 109.869 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.31 -36.5 0.4 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.76 -1.686 . . . . 0.0 109.825 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.43 -49.28 13.76 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.141 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.7 m 59.23 96.78 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.976 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.606 ' C ' ' HG3' ' A' ' 42' ' ' ARG . . . -70.01 174.96 36.0 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 118.738 -1.696 . . . . 0.0 110.126 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.606 ' HG3' ' C ' ' A' ' 41' ' ' GLY . 79.7 mtp180 -159.39 143.98 15.34 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.319 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.92 -150.15 5.81 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 118.828 -1.653 . . . . 0.0 109.788 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.81 175.21 11.5 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.63 -1.228 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.1 p -159.76 132.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 118.78 -1.168 . . . . 0.0 108.524 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.7 m -70.25 164.03 25.19 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.425 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -102.55 37.2 1.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.375 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -79.41 -30.58 42.46 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.214 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.41 74.18 0.61 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.866 -1.134 . . . . 0.0 108.989 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.4 162.12 67.41 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -61.82 166.87 11.24 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 CA-C-N 122.47 1.918 . . . . 0.0 112.609 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -81.61 -25.75 35.45 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.874 -1.13 . . . . 0.0 109.983 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -82.58 -22.82 34.71 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.103 -1.039 . . . . 0.0 110.108 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 tt -77.3 -32.51 55.44 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.933 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.594 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 91.5 mt -77.09 -31.57 56.02 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.734 -1.187 . . . . 0.0 109.504 -177.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -80.76 -26.96 36.92 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.642 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.6 tpp -71.28 -53.65 13.55 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.627 -1.229 . . . . 0.0 109.306 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.1 mt -75.82 -52.32 10.64 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 118.605 -1.238 . . . . 0.0 108.871 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.594 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 52.0 mt-10 . . . . . 0 C--N 1.322 -0.628 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.467 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 121.674 0.75 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.9 p -122.97 162.59 22.02 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.121 -1.031 . . . . 0.0 108.936 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.0 t -104.36 120.86 55.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.032 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 23.9 tptp -70.56 141.51 51.83 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.501 -1.279 . . . . 0.0 109.149 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -156.32 97.74 1.79 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.528 -1.269 . . . . 0.0 109.668 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -80.01 132.28 35.97 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.111 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.721 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 53.1 t80 -91.81 -87.88 0.2 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.721 -1.192 . . . . 0.0 108.565 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.721 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 14.3 mmmm -115.04 -70.7 0.78 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.147 -1.021 . . . . 0.0 108.459 176.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.14 35.77 2.31 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 119.157 -1.497 . . . . 0.0 109.534 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -145.0 142.4 29.77 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.481 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.74 144.77 28.3 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.67 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.4 tp -152.08 100.45 2.63 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 118.597 -1.241 . . . . 0.0 108.846 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -91.45 110.63 21.94 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.79 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 m -88.02 176.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 118.939 -1.104 . . . . 0.0 108.636 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -121.06 152.06 39.09 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.454 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.76 -36.57 59.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 119.198 -1.001 . . . . 0.0 109.296 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.3 t -86.69 2.37 48.79 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.766 -1.174 . . . . 0.0 111.015 -173.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.624 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 24.3 ttmm -102.16 3.5 38.51 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.76 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.7 mt -89.18 123.67 41.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.965 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 87.1 tttt -116.5 148.07 41.16 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.958 -1.097 . . . . 0.0 108.859 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.972 ' HG3' ' HZ3' ' A' ' 23' ' ' TRP . 4.0 tppp? 67.25 93.25 0.07 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 118.569 -1.252 . . . . 0.0 108.717 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.82 138.87 52.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.023 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.972 ' HZ3' ' HG3' ' A' ' 21' ' ' LYS . 44.2 p90 -153.09 127.68 9.38 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.71 -1.196 . . . . 0.0 109.125 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -97.24 127.37 43.14 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.129 -1.029 . . . . 0.0 109.872 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.3 p -163.5 131.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 118.969 -1.093 . . . . 0.0 108.498 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.68 -145.87 18.16 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 118.757 -1.687 . . . . 0.0 110.016 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -94.41 -69.01 0.77 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.955 -1.098 . . . . 0.0 108.589 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.0 mtp -72.31 176.39 5.32 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.671 -1.212 . . . . 0.0 109.15 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -116.55 130.31 71.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 119.127 -1.029 . . . . 0.0 108.552 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.9 m -100.68 158.77 15.71 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.3 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -166.0 170.2 13.85 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.845 -1.142 . . . . 0.0 109.482 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.438 ' OG1' ' HB3' ' A' ' 21' ' ' LYS . 69.4 p -124.64 87.96 2.81 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.233 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -68.36 134.72 50.69 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.519 -1.273 . . . . 0.0 108.065 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -82.77 122.03 27.66 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 118.382 -1.327 . . . . 0.0 110.107 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -163.64 67.3 0.18 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.04 -52.43 0.08 OUTLIER Glycine 0 CA--C 1.521 0.409 0 C-N-CA 118.546 -1.787 . . . . 0.0 110.377 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.16 -52.75 1.07 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 119.023 -1.561 . . . . 0.0 109.392 -176.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 39' ' ' LYS . . . -129.09 41.44 1.55 Allowed Glycine 0 C--N 1.319 -0.374 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.638 ' HB3' ' O ' ' A' ' 38' ' ' GLY . 14.0 ptmm? 168.18 63.25 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 118.993 -1.083 . . . . 0.0 109.011 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.3 p -63.48 167.42 5.54 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.061 -1.056 . . . . 0.0 109.42 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.57 135.99 12.81 Favored Glycine 0 N--CA 1.461 0.352 0 C-N-CA 118.867 -1.635 . . . . 0.0 110.113 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -96.95 139.97 32.18 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 118.979 -1.088 . . . . 0.0 108.768 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.13 -171.02 15.89 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 118.879 -1.629 . . . . 0.0 109.795 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.17 160.52 24.25 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.622 -1.231 . . . . 0.0 109.562 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 p -155.83 136.09 4.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 118.911 -1.116 . . . . 0.0 108.282 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.7 m -66.78 152.54 45.34 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 118.751 -1.18 . . . . 0.0 109.382 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -97.78 43.69 1.06 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.003 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -83.62 -22.75 32.12 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 118.802 -1.159 . . . . 0.0 108.937 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -160.3 57.14 0.35 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.833 -1.147 . . . . 0.0 108.599 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.82 153.58 55.1 Favored Pre-proline 0 C--N 1.321 -0.668 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.786 -178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -52.92 158.43 6.49 Favored 'Trans proline' 0 C--N 1.327 -0.595 0 C-N-CA 121.527 1.485 . . . . 0.0 112.007 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -79.66 -16.98 54.74 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.827 -1.149 . . . . 0.0 110.361 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -64.91 -34.26 77.97 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.275 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.04 -34.12 66.12 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.568 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 83.5 mt -75.61 -32.72 60.4 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.165 -1.414 . . . . 0.0 109.493 -176.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -81.07 -18.82 45.3 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 118.392 -1.323 . . . . 0.0 110.187 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -76.82 -32.5 57.64 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 118.504 -1.278 . . . . 0.0 109.068 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -108.46 21.57 17.13 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 118.206 -1.398 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 46.5 mt-10 . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 121.781 0.801 . . . . 0.0 109.181 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 t -163.51 160.2 22.92 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.648 -1.221 . . . . 0.0 109.583 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -158.04 130.49 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 119.002 -1.079 . . . . 0.0 108.346 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -91.17 103.93 16.55 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.723 -1.191 . . . . 0.0 109.231 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -82.66 85.18 7.06 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.898 -1.121 . . . . 0.0 108.385 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.6 143.94 53.14 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.781 -1.168 . . . . 0.0 110.08 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -140.45 151.18 44.66 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 175.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -67.1 -25.45 66.22 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.645 -1.222 . . . . 0.0 110.311 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.03 -39.49 23.6 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 118.702 -1.713 . . . . 0.0 110.722 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -167.49 134.13 2.21 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.438 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.7 144.51 50.98 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.719 -1.192 . . . . 0.0 109.123 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -133.46 169.96 16.19 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.802 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -144.49 100.18 3.49 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.78 133.79 42.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.524 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -87.48 151.25 23.19 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.794 -1.162 . . . . 0.0 109.179 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.9 mm -79.94 -23.3 11.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.478 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -89.55 3.22 53.19 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.831 -1.147 . . . . 0.0 110.905 -175.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -113.11 15.69 19.43 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 118.911 -1.115 . . . . 0.0 109.423 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.8 mt -120.59 114.94 45.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 118.924 -1.111 . . . . 0.0 108.622 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -76.8 -76.89 0.15 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 118.634 -1.226 . . . . 0.0 108.001 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.628 ' HA ' HG22 ' A' ' 22' ' ' VAL . 59.4 mtmt -109.82 135.77 50.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 176.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.628 HG22 ' HA ' ' A' ' 21' ' ' LYS 0.39 1.9 m 56.61 95.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 123.762 2.983 . . . . 0.0 114.462 7.272 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.6 p90 -163.29 131.88 3.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.399 -1.273 . . . . 0.0 107.607 171.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.24 133.26 34.09 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.641 -1.224 . . . . 0.0 109.841 -171.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.66 -19.58 3.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.62 -130.32 1.21 Allowed Glycine 0 C--N 1.317 -0.474 0 C-N-CA 118.929 -1.605 . . . . 0.0 110.169 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -90.76 -32.03 16.29 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.658 -1.217 . . . . 0.0 110.686 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.6 mtt -87.98 133.72 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 118.613 -1.235 . . . . 0.0 108.369 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.46 119.78 35.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 118.61 -1.236 . . . . 0.0 108.733 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 t -90.55 153.55 20.27 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.88 -1.128 . . . . 0.0 108.461 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -161.81 149.24 14.46 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.209 -1.396 . . . . 0.0 109.64 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.415 HG22 ' HG2' ' A' ' 42' ' ' ARG . 71.0 p -123.74 104.17 8.82 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -89.22 160.8 16.77 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.921 -1.111 . . . . 0.0 108.519 177.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -95.08 121.0 36.26 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.678 -1.209 . . . . 0.0 110.331 -175.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -166.19 84.2 0.3 Allowed 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.216 -0.994 . . . . 0.0 108.551 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.02 -45.11 0.18 Allowed Glycine 0 CA--C 1.52 0.384 0 C-N-CA 118.376 -1.869 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.68 45.39 76.49 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 108.458 -1.857 . . . . 0.0 108.458 -174.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.72 -30.21 2.51 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -174.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -123.4 75.29 1.31 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.9 m -65.1 134.61 54.16 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.211 -0.996 . . . . 0.0 109.427 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.94 156.02 43.42 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 118.713 -1.708 . . . . 0.0 110.114 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.415 ' HG2' HG22 ' A' ' 32' ' ' THR . 84.1 mtm180 -150.23 140.41 22.16 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.095 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.76 -157.73 9.05 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 118.741 -1.695 . . . . 0.0 109.996 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.76 174.06 13.74 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.365 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.9 p -156.67 134.83 2.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.294 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.3 p -67.62 148.62 51.15 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.731 -1.187 . . . . 0.0 109.819 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -83.67 -15.8 47.48 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.577 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.34 -31.81 71.47 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.883 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -128.71 65.01 1.43 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.963 -1.095 . . . . 0.0 109.346 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.18 150.99 52.52 Favored Pre-proline 0 C--N 1.321 -0.642 0 C-N-CA 118.934 -1.107 . . . . 0.0 108.71 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.26 143.11 54.3 Favored 'Trans proline' 0 C--N 1.328 -0.549 0 C-N-CA 121.528 1.485 . . . . 0.0 111.532 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -81.27 -20.31 41.16 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.369 -175.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.5 -19.14 61.0 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.779 -1.168 . . . . 0.0 110.346 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 54' ' ' LEU . 5.4 tt -86.29 -30.04 22.6 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.104 -1.038 . . . . 0.0 108.268 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.14 -13.79 56.67 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.767 -1.173 . . . . 0.0 110.696 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -78.34 -21.48 49.47 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.586 -1.246 . . . . 0.0 109.569 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.5 tpp -73.9 -25.84 60.22 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.631 -1.227 . . . . 0.0 108.876 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.891 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 87.4 mt -132.95 87.1 2.37 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.891 ' CG ' ' HA ' ' A' ' 58' ' ' LEU . 43.4 mt-10 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 120.349 -1.47 . . . . 0.0 107.709 -1.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 121.716 0.77 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.9 p -127.91 132.73 49.27 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.713 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.9 t -93.33 120.13 42.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 118.836 -1.146 . . . . 0.0 108.528 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -79.78 92.56 5.46 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.728 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -85.87 78.32 9.53 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.472 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -73.16 148.64 43.65 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.911 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -151.24 152.05 32.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -67.01 -27.72 67.65 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.869 -1.132 . . . . 0.0 110.228 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.627 ' O ' ' HB2' ' A' ' 10' ' ' GLU . . . -74.09 -29.14 63.07 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 118.824 -1.655 . . . . 0.0 110.655 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.627 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 42.1 tt0 174.61 136.33 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.433 -1.307 . . . . 0.0 109.471 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -76.81 133.95 39.23 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 118.877 -1.129 . . . . 0.0 108.9 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.34 146.98 51.81 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.612 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -120.4 101.06 7.53 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.089 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.26 177.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.841 -1.144 . . . . 0.0 109.004 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -125.87 147.55 49.43 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.087 -1.045 . . . . 0.0 108.841 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.9 pp -82.39 -13.89 12.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 118.924 -1.11 . . . . 0.0 110.004 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.5 t -93.88 -6.02 46.65 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.646 -1.222 . . . . 0.0 110.213 -176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -103.54 11.93 35.67 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.849 -1.14 . . . . 0.0 109.628 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.9 mt -94.01 98.94 8.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 118.811 -1.156 . . . . 0.0 108.623 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -91.24 -74.99 0.48 Allowed 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.447 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -74.28 141.41 45.3 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.551 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -159.63 137.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 118.815 -1.154 . . . . 0.0 108.733 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 38.4 p90 -152.37 134.93 15.3 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.273 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' H ' ' HD2' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -91.01 145.81 24.39 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.629 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.1 t -118.01 -21.5 4.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.108 -1.037 . . . . 0.0 108.897 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.84 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . 131.71 111.08 1.33 Allowed Glycine 0 C--N 1.318 -0.444 0 C-N-CA 119.12 -1.514 . . . . 0.0 110.342 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.84 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 3.9 tmtp? 102.86 -50.05 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.856 -1.138 . . . . 0.0 108.772 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 60.5 mtt -132.34 172.07 12.92 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.077 -1.049 . . . . 0.0 108.883 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mm -114.23 115.12 48.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.69 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.4 t -80.64 154.61 27.28 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 118.757 -1.177 . . . . 0.0 109.02 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -162.36 158.8 24.52 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.562 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -123.04 88.37 2.92 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.192 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -76.46 135.48 39.39 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 118.594 -1.242 . . . . 0.0 108.259 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -84.17 122.05 28.31 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.527 -1.269 . . . . 0.0 109.865 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -164.37 78.58 0.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.416 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.16 -44.04 0.07 OUTLIER Glycine 0 CA--C 1.519 0.313 0 C-N-CA 118.586 -1.768 . . . . 0.0 110.311 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.33 39.98 80.89 Favored Glycine 0 C--N 1.319 -0.367 0 C-N-CA 118.654 -1.736 . . . . 0.0 109.482 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.92 -17.41 1.21 Allowed Glycine 0 CA--C 1.52 0.368 0 N-CA-C 108.824 -1.71 . . . . 0.0 108.824 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -153.68 77.6 1.11 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.093 -1.043 . . . . 0.0 108.323 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.4 t -64.56 160.57 19.25 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.701 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.69 133.91 11.89 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 118.998 -1.573 . . . . 0.0 110.398 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -105.0 143.02 33.76 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.808 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.78 -169.74 19.74 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 118.657 -1.735 . . . . 0.0 110.009 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.09 160.67 33.35 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.314 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 p -161.05 136.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.844 -1.142 . . . . 0.0 108.422 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.1 p -67.18 149.88 49.88 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.699 -1.2 . . . . 0.0 109.25 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -98.88 21.58 11.35 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.071 -1.051 . . . . 0.0 109.948 -178.635 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -80.42 -24.16 39.83 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.394 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -141.79 67.38 1.33 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.965 -1.094 . . . . 0.0 108.771 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -110.36 157.11 39.05 Favored Pre-proline 0 C--N 1.322 -0.63 0 C-N-CA 119.203 -0.999 . . . . 0.0 108.429 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -51.01 159.68 2.38 Favored 'Trans proline' 0 C--N 1.328 -0.525 0 C-N-CA 121.518 1.478 . . . . 0.0 112.106 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -69.14 -28.16 66.2 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.008 -1.077 . . . . 0.0 111.124 -174.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -62.13 -38.62 89.65 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.016 -1.074 . . . . 0.0 110.544 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -79.82 -23.37 42.1 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.592 -1.243 . . . . 0.0 110.044 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.81 -28.0 50.2 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.578 -1.249 . . . . 0.0 109.718 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -82.76 -12.85 57.21 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.763 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.2 tpp -81.33 -24.43 37.14 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.095 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.4 mt -120.83 47.5 1.8 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.932 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 C--N 1.321 -0.669 0 C-N-CA 118.904 -1.119 . . . . 0.0 108.48 178.821 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 121.677 0.751 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.0 p -127.34 168.63 14.54 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.223 -0.991 . . . . 0.0 108.661 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.72 129.81 18.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.762 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.713 ' HG2' ' H ' ' A' ' 5' ' ' PHE . 39.4 ttmt -82.38 175.32 10.34 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.755 -1.178 . . . . 0.0 110.271 -176.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.713 ' H ' ' HG2' ' A' ' 4' ' ' LYS . 53.2 t80 -164.63 86.03 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.838 -1.145 . . . . 0.0 108.932 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -77.92 130.68 36.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.632 -1.227 . . . . 0.0 109.591 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.489 ' CD2' ' HG3' ' A' ' 8' ' ' LYS . 40.0 t80 -85.39 -80.86 0.21 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 118.872 -1.131 . . . . 0.0 108.325 177.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.489 ' HG3' ' CD2' ' A' ' 7' ' ' TYR . 28.7 mtpp -114.95 -69.44 0.86 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.014 -1.074 . . . . 0.0 108.796 174.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.98 29.68 3.88 Favored Glycine 0 N--CA 1.462 0.38 0 C-N-CA 119.1 -1.524 . . . . 0.0 109.847 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -127.79 -171.73 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.161 -1.016 . . . . 0.0 108.922 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -149.26 135.97 19.54 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.443 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.8 mt -137.01 122.24 19.25 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -92.55 162.7 14.09 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.944 -1.103 . . . . 0.0 109.469 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -157.91 132.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 118.903 -1.119 . . . . 0.0 108.757 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -92.0 153.61 19.33 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.832 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mp -65.9 -31.45 53.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 119.455 -0.898 . . . . 0.0 108.983 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 m -72.63 -25.43 61.29 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 118.841 -1.144 . . . . 0.0 111.193 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -82.8 -18.74 39.46 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 118.43 -1.308 . . . . 0.0 110.465 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.9 mt -70.32 108.7 2.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 C-N-CA 118.349 -1.34 . . . . 0.0 108.187 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -93.88 -89.17 0.22 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.903 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -68.66 144.32 54.5 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.855 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.5 135.78 6.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 118.928 -1.109 . . . . 0.0 108.71 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -144.39 169.1 18.58 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.857 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -145.79 85.47 1.7 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.626 -1.229 . . . . 0.0 110.071 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -127.8 82.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 174.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.66 -146.23 12.19 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 118.615 -1.755 . . . . 0.0 110.027 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -89.91 -68.42 0.78 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.468 -178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 59.8 mtt -90.03 165.33 14.09 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.061 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.0 mt -90.34 125.52 43.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 118.927 -1.109 . . . . 0.0 108.867 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.7 t -95.06 162.53 13.68 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.045 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -161.88 170.79 18.82 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.979 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.4 p -125.05 98.83 5.84 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.951 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -79.85 146.26 32.31 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 118.823 -1.151 . . . . 0.0 108.063 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -100.46 90.3 4.25 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.721 -1.192 . . . . 0.0 110.107 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -133.65 81.86 1.95 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.249 -0.981 . . . . 0.0 108.567 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.88 -42.79 0.03 OUTLIER Glycine 0 C--N 1.319 -0.374 0 C-N-CA 118.495 -1.812 . . . . 0.0 110.427 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.68 40.62 90.19 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 118.589 -1.767 . . . . 0.0 108.958 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 137.37 -5.95 3.57 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 -175.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -148.48 76.9 1.38 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.103 -1.039 . . . . 0.0 108.52 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.4 m -64.54 129.73 40.98 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.275 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.13 145.64 17.78 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 118.831 -1.652 . . . . 0.0 110.291 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -113.02 143.02 45.02 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.99 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.41 -167.84 14.82 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 118.812 -1.661 . . . . 0.0 109.786 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.56 164.45 31.99 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 118.601 -1.24 . . . . 0.0 109.431 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.6 p -161.63 136.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.29 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.9 m -67.77 151.94 46.4 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.392 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -98.57 15.91 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.056 -1.057 . . . . 0.0 110.395 -176.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 4.4 ttmp? -95.18 3.79 54.29 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.698 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -159.28 47.34 0.3 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.046 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.06 156.29 42.09 Favored Pre-proline 0 C--N 1.321 -0.643 0 C-N-CA 119.072 -1.051 . . . . 0.0 108.577 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.22 157.55 4.29 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 121.619 1.546 . . . . 0.0 112.028 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -81.83 -10.72 59.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 118.914 -1.115 . . . . 0.0 110.99 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.7 -35.56 81.11 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.657 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -78.93 -25.79 43.68 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.636 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -79.65 -24.13 42.05 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.641 -1.224 . . . . 0.0 109.986 -177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -79.02 -17.72 54.84 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.774 -1.17 . . . . 0.0 109.714 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.0 ttt -66.15 -40.55 90.64 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.894 -1.122 . . . . 0.0 109.849 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.3 mt -99.28 -22.74 15.46 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.17 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 C--N 1.321 -0.665 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.192 -179.689 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 121.895 0.855 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.3 t -158.04 156.4 31.02 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.129 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.7 t -122.21 127.45 75.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.103 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -76.57 94.07 3.68 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.725 -1.19 . . . . 0.0 108.911 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -98.21 82.84 2.99 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.889 -175.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -172.13 2.96 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.651 -1.22 . . . . 0.0 108.715 176.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.485 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 51.6 t80 -143.94 -89.44 0.12 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.699 -1.201 . . . . 0.0 109.021 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 7.0 mmpt? -103.42 -76.68 0.58 Allowed 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.698 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.53 30.42 4.03 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 119.199 -1.477 . . . . 0.0 109.553 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -123.68 -175.13 3.14 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.91 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -147.53 132.82 18.46 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.871 -1.132 . . . . 0.0 108.998 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.39 174.44 9.86 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.104 -1.038 . . . . 0.0 108.216 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -151.34 94.31 2.01 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.285 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -74.61 178.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.885 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -133.9 161.47 34.67 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.748 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.0 tp -80.18 -17.35 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 118.952 -1.099 . . . . 0.0 111.078 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -95.42 -20.33 19.17 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.542 -1.263 . . . . 0.0 111.423 -171.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.652 ' HD3' ' HB3' ' A' ' 34' ' ' ASP . 24.6 ttmm -93.33 -2.14 55.2 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.52 -1.272 . . . . 0.0 110.742 -173.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.6 mt -71.69 118.39 16.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 118.305 -1.358 . . . . 0.0 108.294 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -92.88 -102.95 0.12 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.874 -1.131 . . . . 0.0 110.017 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -74.62 144.17 44.02 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.781 -1.168 . . . . 0.0 110.262 -174.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -150.91 136.89 12.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.7 p90 -143.52 167.95 21.0 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.839 -1.144 . . . . 0.0 109.733 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.718 ' HG2' ' CD1' ' A' ' 29' ' ' ILE . 4.4 tmt_? -138.85 120.69 15.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -159.01 35.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.825 1.298 . . . . 0.0 108.303 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.08 -143.96 4.32 Favored Glycine 0 C--N 1.319 -0.395 0 C-N-CA 118.739 -1.696 . . . . 0.0 110.124 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -84.07 -73.91 0.4 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 118.921 -1.111 . . . . 0.0 109.339 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.9 mtt -82.82 155.39 24.21 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.728 -1.189 . . . . 0.0 109.355 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.718 ' CD1' ' HG2' ' A' ' 24' ' ' ARG . 49.6 mm -89.96 127.21 42.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.044 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.6 t -94.25 161.85 14.09 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.36 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -162.77 162.76 26.82 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.996 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.7 p -123.4 91.05 3.39 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.94 -1.104 . . . . 0.0 109.269 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -76.71 144.81 39.08 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.763 -1.175 . . . . 0.0 108.41 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.652 ' HB3' ' HD3' ' A' ' 18' ' ' LYS . 34.3 t70 -82.21 137.49 34.89 Favored 'General case' 0 C--N 1.319 -0.717 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.616 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -164.1 89.08 0.54 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.131 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.94 -37.02 2.23 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 118.935 -1.602 . . . . 0.0 110.185 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.09 48.47 19.89 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 118.617 -1.754 . . . . 0.0 109.725 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.72 -15.39 0.15 Allowed Glycine 0 CA--C 1.52 0.362 0 C-N-CA 118.773 -1.679 . . . . 0.0 109.769 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -115.44 -39.72 3.53 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.171 -1.011 . . . . 0.0 108.867 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 m 57.79 98.38 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.075 0.941 . . . . 0.0 110.343 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.78 152.71 49.36 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 118.671 -1.728 . . . . 0.0 110.048 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -133.79 122.78 23.77 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.113 -1.035 . . . . 0.0 109.219 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.89 -161.67 9.52 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 119.046 -1.55 . . . . 0.0 109.514 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.84 167.22 23.1 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 118.573 -1.251 . . . . 0.0 109.538 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 p -160.25 135.66 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.302 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -66.61 145.71 55.3 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.681 -1.208 . . . . 0.0 108.925 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -100.98 36.36 1.98 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.938 -1.105 . . . . 0.0 109.254 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -82.6 -23.37 34.41 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.896 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -151.03 61.31 0.91 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.975 -1.09 . . . . 0.0 108.458 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 154.53 64.59 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 118.877 -1.129 . . . . 0.0 108.551 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.92 147.03 10.86 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 C-N-CA 121.503 1.469 . . . . 0.0 111.333 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -74.93 -23.88 58.4 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.59 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.28 -31.2 70.49 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.234 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 54' ' ' LEU . 2.6 tt -77.03 -29.68 55.41 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.736 -1.185 . . . . 0.0 108.51 -178.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.2 -30.74 63.73 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.661 -1.216 . . . . 0.0 110.099 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -86.09 -5.29 59.24 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.669 -1.212 . . . . 0.0 110.055 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 ttt -91.39 -27.85 18.06 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.844 -1.143 . . . . 0.0 110.139 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.97 24.51 8.25 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.522 -1.271 . . . . 0.0 110.299 -174.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 . . . . . 0 C--N 1.322 -0.619 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.124 177.737 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.515 0 CA-C-O 121.661 0.743 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.2 p -129.64 138.08 51.02 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.815 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.8 t -89.4 125.57 42.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 118.787 -1.165 . . . . 0.0 108.335 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -115.04 94.75 4.88 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.066 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -91.36 135.54 33.75 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.017 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -107.43 -173.93 2.41 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.146 -1.022 . . . . 0.0 109.403 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -144.92 -81.28 0.16 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.967 -1.093 . . . . 0.0 109.076 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.61 -78.08 0.59 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.962 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.09 24.92 5.0 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 119.042 -1.551 . . . . 0.0 110.093 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -127.43 177.68 6.58 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.45 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 134.91 13.72 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.694 -1.203 . . . . 0.0 109.592 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 mp -118.85 168.05 11.13 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.38 133.78 26.41 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.993 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -128.15 146.16 34.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.214 -0.995 . . . . 0.0 109.296 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.406 ' HB3' ' CB ' ' A' ' 18' ' ' LYS . 23.7 t0 -87.11 145.33 26.48 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.026 -1.069 . . . . 0.0 109.045 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -72.27 -34.98 51.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.653 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -85.23 -4.97 59.34 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.685 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 24.4 ttmm -93.86 0.83 56.4 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.976 -1.09 . . . . 0.0 110.152 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.1 mt -82.22 127.4 39.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 C-N-CA 118.679 -1.209 . . . . 0.0 108.886 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -125.81 154.28 42.84 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.895 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm 57.27 93.32 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.803 0.811 . . . . 0.0 110.379 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.23 148.1 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.009 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.0 p90 -151.92 146.67 25.81 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.738 -1.185 . . . . 0.0 109.018 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -114.21 121.21 43.02 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.076 -1.049 . . . . 0.0 110.14 -175.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 m -130.36 -172.6 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 175.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.841 ' O ' ' HB2' ' A' ' 27' ' ' LYS . . . -79.32 88.64 1.2 Allowed Glycine 0 CA--C 1.521 0.419 0 C-N-CA 118.724 -1.703 . . . . 0.0 110.334 -179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.841 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 62.0 tttm 154.0 73.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.539 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.8 mmt 60.08 -177.29 0.1 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.914 0.864 . . . . 0.0 110.405 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.2 mm -107.11 121.05 59.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.615 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.5 p -101.86 159.96 14.89 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.147 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -165.24 168.95 16.51 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 118.734 -1.187 . . . . 0.0 109.484 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.504 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 68.4 p -126.4 89.64 3.04 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.134 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -69.6 143.84 53.18 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 118.528 -1.269 . . . . 0.0 108.587 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -86.86 138.25 31.73 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.559 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -165.51 76.46 0.25 Allowed 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 119.08 -1.048 . . . . 0.0 108.472 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 153.3 -35.33 0.76 Allowed Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.803 -1.665 . . . . 0.0 109.898 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.94 -14.96 57.17 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 118.985 -1.578 . . . . 0.0 110.019 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.13 37.61 0.26 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.78 -1.676 . . . . 0.0 110.024 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -147.06 -40.06 0.19 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.3 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.0 p 53.0 -168.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.111 0.958 . . . . 0.0 110.731 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 32' ' ' THR . . . -157.93 135.18 4.2 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.787 -1.673 . . . . 0.0 109.951 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -97.75 146.62 25.2 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.998 -1.081 . . . . 0.0 109.197 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.6 -173.73 30.61 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 118.794 -1.67 . . . . 0.0 109.755 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.42 153.7 17.89 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 118.606 -1.238 . . . . 0.0 109.47 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 p -161.91 136.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 C-N-CA 118.821 -1.152 . . . . 0.0 108.416 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.9 p -65.5 150.45 48.36 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.486 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -89.85 -1.83 58.07 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.133 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -76.29 -28.58 57.05 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.741 -1.183 . . . . 0.0 109.314 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.53 47.46 0.88 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.715 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.36 154.69 43.61 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.91 166.64 29.45 Favored 'Trans proline' 0 C--N 1.326 -0.612 0 C-N-CA 121.235 1.29 . . . . 0.0 109.737 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -27.25 61.19 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.936 -1.106 . . . . 0.0 110.377 -174.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -68.43 -32.77 73.05 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 118.738 -1.185 . . . . 0.0 110.423 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 54' ' ' LEU . 4.1 tt -78.8 -33.33 46.29 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 118.548 -1.261 . . . . 0.0 108.587 -177.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -81.27 -24.29 37.39 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.611 -1.236 . . . . 0.0 110.277 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -97.22 23.13 7.74 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.769 -1.172 . . . . 0.0 109.419 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.4 tpp -116.79 -24.12 7.83 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.084 -1.046 . . . . 0.0 109.187 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -127.3 -26.71 3.03 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.669 -1.212 . . . . 0.0 111.278 -176.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 C--N 1.321 -0.632 0 C-N-CA 118.459 -1.296 . . . . 0.0 110.875 -173.372 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.572 0 CA-C-O 121.726 0.774 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.8 p -126.95 151.92 47.86 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.754 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.8 t -120.68 128.36 76.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.38 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -90.59 113.39 25.39 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.335 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -98.75 102.14 13.78 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.106 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.677 ' HG2' ' H ' ' A' ' 8' ' ' LYS . 41.0 ttmt -88.48 141.76 28.27 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.963 -1.095 . . . . 0.0 109.666 -178.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 1.267 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 68.3 t80 -127.03 18.64 7.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.247 1.022 . . . . 0.0 108.521 178.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 1.267 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 25.5 pttm 60.86 26.88 16.72 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.708 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.55 -50.7 0.02 OUTLIER Glycine 0 CA--C 1.521 0.46 0 C-N-CA 119.103 -1.522 . . . . 0.0 109.689 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -148.83 136.4 20.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.232 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.36 101.95 10.14 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.691 -1.204 . . . . 0.0 109.372 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.5 109.83 20.97 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.171 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -82.89 105.67 14.09 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 118.882 -1.127 . . . . 0.0 108.663 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.4 m -81.91 175.41 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 118.783 -1.167 . . . . 0.0 108.996 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.844 ' OD2' ' HG3' ' A' ' 18' ' ' LYS . 24.7 t0 -116.3 143.32 45.68 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.111 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.7 tt -81.09 -16.77 12.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.001 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.0 m -98.34 0.76 46.12 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.095 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.844 ' HG3' ' OD2' ' A' ' 15' ' ' ASP . 29.3 mtpp -105.81 8.02 32.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.797 -1.161 . . . . 0.0 109.736 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.9 mt -91.44 82.89 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.946 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.72 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -88.4 138.1 31.74 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.604 177.239 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.72 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 49.7 mmtm 73.47 116.52 0.05 Allowed 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.581 -1.248 . . . . 0.0 108.832 -178.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.31 137.93 33.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 119.044 -1.062 . . . . 0.0 108.552 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 43.1 p90 -149.46 131.16 15.0 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.813 -1.155 . . . . 0.0 108.906 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -106.01 139.72 40.11 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.402 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -163.72 132.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 118.98 -1.088 . . . . 0.0 108.561 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.6 -130.72 10.45 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.841 -1.647 . . . . 0.0 109.786 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HD2' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -136.16 18.59 3.19 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.788 -1.165 . . . . 0.0 111.684 -178.37 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.742 ' HG3' ' HA ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -135.95 156.36 48.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 163.67 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.2 mt -91.12 124.8 43.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 118.776 -1.17 . . . . 0.0 109.032 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -105.53 157.01 17.68 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.111 -1.035 . . . . 0.0 108.972 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -164.9 -177.01 4.46 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.238 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.2 t -142.64 121.76 12.94 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.639 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -92.86 -173.27 3.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -149.15 122.09 8.78 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.417 -1.313 . . . . 0.0 110.083 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.1 29.32 3.73 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.126 176.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.5 -85.94 0.06 OUTLIER Glycine 0 CA--C 1.521 0.418 0 C-N-CA 118.787 -1.673 . . . . 0.0 110.257 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.09 -66.45 0.06 OUTLIER Glycine 0 CA--C 1.52 0.368 0 C-N-CA 118.788 -1.673 . . . . 0.0 109.863 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.61 -14.94 64.6 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 118.922 -1.609 . . . . 0.0 109.472 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 40' ' ' THR . 41.3 ttmt -150.78 103.02 3.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 28.5 m 63.26 74.7 0.42 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 123.432 2.833 . . . . 0.0 111.817 4.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.49 -172.17 38.05 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 119.04 -1.552 . . . . 0.0 110.037 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.09 93.15 2.8 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.137 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.57 -173.39 36.69 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 118.895 -1.621 . . . . 0.0 109.842 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.18 169.47 24.08 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.733 -1.187 . . . . 0.0 109.123 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 p -162.05 136.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.493 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.742 ' HA ' ' HG3' ' A' ' 28' ' ' MET . 47.0 t -67.58 152.38 45.73 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.504 -178.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.15 10.63 37.09 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.093 -1.043 . . . . 0.0 110.005 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -81.33 -27.47 34.94 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.384 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -134.71 35.0 3.15 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.324 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.88 154.32 64.39 Favored Pre-proline 0 C--N 1.321 -0.65 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.454 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.31 143.09 35.09 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 121.45 1.433 . . . . 0.0 111.694 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.76 -26.94 50.17 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.778 -1.169 . . . . 0.0 110.427 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -76.32 -14.57 60.1 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.739 -1.184 . . . . 0.0 110.778 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 54' ' ' LEU . 4.8 tt -83.64 -33.86 25.17 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.499 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.61 -34.05 58.38 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.68 -1.208 . . . . 0.0 110.447 -174.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -84.05 -10.44 57.85 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.598 -1.241 . . . . 0.0 110.224 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.5 tpp -84.53 -22.42 30.16 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.744 -1.182 . . . . 0.0 109.373 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.8 mt -120.93 37.54 4.29 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.801 -1.159 . . . . 0.0 109.785 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.318 -0.767 0 C-N-CA 118.44 -1.304 . . . . 0.0 109.093 174.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 121.601 0.715 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.1 p -127.21 152.01 47.95 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.183 -1.007 . . . . 0.0 108.856 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.8 t -106.94 127.97 62.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 119.121 -1.032 . . . . 0.0 108.526 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -93.5 157.48 16.18 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.286 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -163.04 80.54 0.47 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.929 -1.108 . . . . 0.0 108.637 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 20.2 ptpt -73.77 132.92 43.12 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.702 -177.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -77.27 -88.34 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.169 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -106.63 -73.98 0.67 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 119.154 -1.018 . . . . 0.0 108.34 173.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.47 20.37 7.42 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.033 -1.556 . . . . 0.0 109.906 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -120.46 130.67 54.41 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.114 -1.035 . . . . 0.0 108.476 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -81.87 156.08 25.01 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.088 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -153.06 121.78 6.43 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.866 -1.134 . . . . 0.0 108.639 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -107.68 167.66 9.8 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.523 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.6 p -160.74 132.47 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.603 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -73.41 145.91 45.47 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 118.623 -1.231 . . . . 0.0 108.755 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.21 -32.49 38.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 118.92 -1.112 . . . . 0.0 110.228 -174.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -84.65 -6.44 59.36 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.716 -1.194 . . . . 0.0 110.558 -175.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.9 ttpt -89.66 -15.31 32.93 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.019 -1.072 . . . . 0.0 109.369 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.2 mt -68.14 106.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 118.958 -1.097 . . . . 0.0 108.866 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.626 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 61.9 mttp -102.14 147.42 26.64 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.105 -1.038 . . . . 0.0 109.177 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.626 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 76.0 mmtt 69.99 92.24 0.09 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.707 -1.197 . . . . 0.0 109.084 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.4 m -124.61 141.61 44.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 119.007 -1.077 . . . . 0.0 109.012 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 41.8 p90 -155.37 132.09 10.57 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.898 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -107.85 121.6 45.09 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.908 -1.117 . . . . 0.0 109.55 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 m -136.98 141.92 39.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.488 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 27' ' ' LYS . . . 81.21 -87.4 1.37 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.767 -1.682 . . . . 0.0 110.275 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 55.8 mtmt -155.96 -63.58 0.11 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.257 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.474 ' SD ' ' N ' ' A' ' 28' ' ' MET . 2.1 mpt? -67.77 159.76 29.57 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.802 -1.159 . . . . 0.0 108.762 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -103.61 117.96 49.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 118.998 -1.081 . . . . 0.0 108.511 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.2 m -94.92 156.37 16.37 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.01 -1.076 . . . . 0.0 108.705 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -165.47 174.55 9.87 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.515 -1.274 . . . . 0.0 109.864 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.1 p -124.67 151.34 45.07 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -142.29 143.18 32.69 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.849 -1.14 . . . . 0.0 109.537 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -86.08 145.62 26.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.042 -1.063 . . . . 0.0 108.496 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.75 ' H ' ' CA ' ' A' ' 36' ' ' GLY . 13.1 pt-20 -137.3 -22.35 1.15 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -177.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.75 ' CA ' ' H ' ' A' ' 35' ' ' GLU . . . -174.71 -107.45 0.21 Allowed Glycine 0 N--CA 1.462 0.423 0 CA-C-N 123.596 2.907 . . . . 0.0 108.586 -0.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.88 -71.85 2.36 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 118.921 -1.609 . . . . 0.0 110.522 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.12 51.43 0.34 Allowed Glycine 0 C--N 1.319 -0.405 0 C-N-CA 118.826 -1.654 . . . . 0.0 109.916 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -134.23 -38.78 0.85 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.121 -1.032 . . . . 0.0 108.686 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.9 m 55.2 86.14 0.06 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.134 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.95 172.3 37.16 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.724 -1.703 . . . . 0.0 110.211 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -155.27 144.49 20.97 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.986 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.52 -155.82 8.6 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 118.672 -1.728 . . . . 0.0 109.867 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.55 167.75 20.95 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 118.694 -1.203 . . . . 0.0 109.42 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 p -157.44 132.22 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 118.814 -1.154 . . . . 0.0 108.378 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.6 m -71.5 152.63 42.85 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 118.644 -1.222 . . . . 0.0 109.286 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.37 -12.79 59.91 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.556 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -70.13 -32.28 70.21 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.703 -1.199 . . . . 0.0 109.768 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -124.12 56.85 1.24 Allowed 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.242 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -118.97 153.69 52.83 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.531 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.37 147.82 27.83 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.517 1.478 . . . . 0.0 111.665 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -78.48 -26.23 45.97 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 118.751 -1.18 . . . . 0.0 110.355 -174.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -74.77 -20.07 59.95 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.729 -1.188 . . . . 0.0 110.169 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.474 ' O ' HD23 ' A' ' 54' ' ' LEU . 4.2 tt -77.02 -31.57 56.43 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.058 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.07 -31.79 68.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.836 -1.146 . . . . 0.0 109.651 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -77.61 -21.26 52.59 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.746 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.9 ttt -72.95 -29.68 63.28 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.672 -1.211 . . . . 0.0 108.861 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.989 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . 94.8 mt -132.39 84.01 2.12 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 175.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.989 ' HB3' ' HA ' ' A' ' 58' ' ' LEU . 12.5 pt-20 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 120.75 -1.219 . . . . 0.0 109.12 1.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 121.762 0.791 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t -159.56 159.05 32.84 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.34 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.0 t -126.78 128.81 71.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.394 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 58.7 pttt -121.15 113.9 20.67 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.621 177.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -99.77 129.2 45.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.881 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.503 ' H ' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -97.39 132.64 42.92 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.787 -1.165 . . . . 0.0 109.579 -179.449 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -167.16 97.7 0.51 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.904 -1.118 . . . . 0.0 108.607 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.948 ' HB2' ' CA ' ' A' ' 9' ' ' GLY . 75.9 mmtt -68.82 -66.2 0.6 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 119.539 -1.975 . . . . 0.0 110.691 0.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.948 ' CA ' ' HB2' ' A' ' 8' ' ' LYS . . . 150.51 -61.09 0.42 Allowed Glycine 0 N--CA 1.463 0.467 0 N-CA-C 107.418 -2.273 . . . . 0.0 107.418 -8.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -137.45 138.1 39.43 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 173.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -69.41 134.78 49.42 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.62 -1.232 . . . . 0.0 109.301 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -142.48 91.48 2.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 4' ' ' LYS . 26.3 tt0 -99.92 130.85 46.14 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.826 -176.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.94 138.68 52.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.15 159.04 27.11 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.12 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.6 pt -90.01 -3.07 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.17 -1.012 . . . . 0.0 110.79 -175.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.0 p -88.15 -10.01 51.32 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.441 -175.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -93.4 -1.44 55.82 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.886 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.4 mt -78.43 129.58 37.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 118.556 -1.258 . . . . 0.0 107.732 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.713 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 25.3 pttm -147.53 -0.93 0.63 Allowed 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 118.538 -1.265 . . . . 0.0 110.056 -177.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.909 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 2.8 mmmp? -132.11 100.42 5.04 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.828 -1.149 . . . . 0.0 109.071 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.48 144.15 37.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.246 -0.982 . . . . 0.0 108.931 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -149.73 138.7 21.1 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.954 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -93.96 118.42 31.46 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.885 -171.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -163.21 130.44 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 118.999 -1.08 . . . . 0.0 108.484 173.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.11 -168.64 32.68 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 118.76 -1.686 . . . . 0.0 110.328 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.701 ' HG3' ' HG3' ' A' ' 28' ' ' MET . 21.9 ptmt -86.67 -13.34 45.79 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.996 -1.082 . . . . 0.0 110.639 -177.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.701 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 63.1 mtt -122.4 161.65 23.08 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 118.758 -1.177 . . . . 0.0 109.395 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mm -101.44 131.5 49.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 119.079 -1.049 . . . . 0.0 108.992 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -101.41 164.73 11.62 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.988 -1.085 . . . . 0.0 108.99 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -164.74 166.56 19.79 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.662 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.909 ' OG1' ' HB2' ' A' ' 21' ' ' LYS . 73.9 p -124.81 86.44 2.56 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.177 -178.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -69.94 144.84 52.28 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 118.44 -1.304 . . . . 0.0 108.07 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -91.06 118.93 30.8 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.486 -1.286 . . . . 0.0 110.504 -174.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -164.87 77.13 0.31 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.467 ' HA3' ' HD2' ' A' ' 39' ' ' LYS . . . -179.75 -46.43 0.08 OUTLIER Glycine 0 CA--C 1.52 0.354 0 C-N-CA 118.594 -1.765 . . . . 0.0 110.425 -177.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.55 38.6 57.51 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 118.641 -1.742 . . . . 0.0 109.477 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.7 -15.13 0.71 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HD2' ' HA3' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -157.71 71.64 0.63 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.019 -1.073 . . . . 0.0 109.026 179.063 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.4 p -59.83 161.28 6.58 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.782 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.09 167.51 23.94 Favored Glycine 0 C--N 1.32 -0.327 0 C-N-CA 118.891 -1.623 . . . . 0.0 110.201 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -131.22 141.48 50.04 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.143 -1.023 . . . . 0.0 108.946 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.39 177.99 21.24 Favored Glycine 0 N--CA 1.461 0.355 0 C-N-CA 118.92 -1.609 . . . . 0.0 109.771 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.03 143.17 13.84 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.187 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.3 p -161.5 136.24 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 118.772 -1.171 . . . . 0.0 108.226 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.6 t -67.04 157.07 34.42 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.693 -1.203 . . . . 0.0 109.643 -177.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -91.81 12.14 22.44 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.152 -1.019 . . . . 0.0 110.083 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -75.21 -26.6 59.09 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.649 -1.22 . . . . 0.0 109.478 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -134.89 71.33 1.44 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.031 -1.067 . . . . 0.0 108.874 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.7 153.96 76.17 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.254 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -56.76 156.28 23.76 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.306 1.337 . . . . 0.0 111.985 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -26.64 60.04 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.119 -1.032 . . . . 0.0 110.211 -175.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.42 -34.54 78.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.423 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.46 -34.71 65.51 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.264 -1.375 . . . . 0.0 108.968 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.53 -32.97 54.37 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.733 -175.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -80.8 -18.39 47.7 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 118.769 -1.172 . . . . 0.0 109.76 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.4 tpp -80.19 -30.9 38.78 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.705 -1.198 . . . . 0.0 110.071 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.9 mt -106.86 -29.34 9.55 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.605 -1.238 . . . . 0.0 110.894 -173.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 C--N 1.321 -0.662 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.691 -177.503 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 121.755 0.788 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -162.52 164.63 26.83 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.691 -1.204 . . . . 0.0 109.103 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.3 t -122.85 102.08 10.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 119.074 -1.05 . . . . 0.0 108.755 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.71 168.94 6.98 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.179 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -159.76 80.73 0.72 Allowed 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.667 -1.213 . . . . 0.0 109.48 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 14.8 ptmm? -76.83 158.28 30.93 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.728 -1.189 . . . . 0.0 108.911 178.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -101.8 -96.7 0.28 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.875 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.44 ' H ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -107.27 -34.2 7.18 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 118.404 -1.318 . . . . 0.0 109.592 176.587 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.73 31.86 0.75 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 118.82 -1.657 . . . . 0.0 109.961 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 45.2 mt-10 -128.9 -176.13 3.76 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.109 -1.036 . . . . 0.0 108.826 -179.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -141.94 131.05 23.28 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.994 -1.083 . . . . 0.0 108.766 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.19 167.27 18.67 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.05 -1.06 . . . . 0.0 108.368 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -152.76 131.65 12.49 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.808 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -139.57 132.7 36.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.97 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.11 159.45 18.9 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.917 -1.113 . . . . 0.0 108.253 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.24 -29.05 41.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.241 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.5 p -80.76 -4.43 54.51 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.833 -1.147 . . . . 0.0 110.81 -177.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -98.81 12.77 34.66 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.448 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mt -120.17 137.01 55.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.31 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -124.69 -44.09 1.98 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.878 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.515 ' HA ' ' HB ' ' A' ' 22' ' ' VAL . 31.6 tttt -137.49 116.59 12.52 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 -178.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.515 ' HB ' ' HA ' ' A' ' 21' ' ' LYS 0.259 58.2 t 68.38 82.44 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 124.283 3.219 . . . . 0.0 112.336 3.119 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.4 p90 -164.27 131.12 3.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 113.627 -1.624 . . . . 0.0 106.872 168.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.532 ' HG3' ' HA ' ' A' ' 29' ' ' ILE . 4.1 mmp_? -148.14 176.14 10.46 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.522 -1.271 . . . . 0.0 110.75 -177.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -163.58 24.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.43 -113.82 0.36 Allowed Glycine 0 CA--C 1.519 0.329 0 C-N-CA 118.578 -1.773 . . . . 0.0 111.514 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 1.026 ' HG2' ' HG3' ' A' ' 28' ' ' MET . 24.2 ttmm -95.12 147.54 23.33 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.083 -170.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 1.026 ' HG3' ' HG2' ' A' ' 27' ' ' LYS . 84.1 mtp 62.22 -177.35 0.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.784 172.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.532 ' HA ' ' HG3' ' A' ' 24' ' ' ARG . 4.2 mp -128.08 121.01 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.408 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.0 m -93.68 142.11 27.72 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.3 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.468 ' HA ' ' H ' ' A' ' 22' ' ' VAL . 55.1 p90 -158.04 148.84 20.79 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.355 -1.338 . . . . 0.0 110.095 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.801 HG22 ' HG3' ' A' ' 42' ' ' ARG . 70.5 p -126.6 95.9 4.5 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.21 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -73.33 170.38 15.16 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.74 -1.184 . . . . 0.0 108.631 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -137.03 122.77 19.9 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.717 -1.193 . . . . 0.0 109.591 -178.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -159.76 77.52 0.68 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 118.626 -1.23 . . . . 0.0 109.816 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.05 123.27 0.86 Allowed Glycine 0 N--CA 1.463 0.481 0 O-C-N 120.083 -1.636 . . . . 0.0 109.725 0.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.22 67.46 0.9 Allowed Glycine 0 CA--C 1.52 0.361 0 C-N-CA 118.985 -1.579 . . . . 0.0 110.33 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.3 -20.06 33.4 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 119.033 -1.556 . . . . 0.0 110.594 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -82.03 -81.64 0.14 Allowed 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.589 -1.244 . . . . 0.0 109.221 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 m 57.1 91.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.804 0.812 . . . . 0.0 110.482 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.49 139.07 14.75 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 118.847 -1.644 . . . . 0.0 110.169 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.801 ' HG3' HG22 ' A' ' 32' ' ' THR . 0.5 OUTLIER -90.22 150.38 22.0 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.033 -1.067 . . . . 0.0 108.392 179.347 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.46 172.72 36.92 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 118.793 -1.67 . . . . 0.0 110.019 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.22 164.57 27.65 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.73 -1.188 . . . . 0.0 109.212 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.4 p -162.93 135.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 118.8 -1.16 . . . . 0.0 108.364 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -71.96 160.3 32.76 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 118.646 -1.222 . . . . 0.0 109.634 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.07 24.58 5.47 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.173 -1.011 . . . . 0.0 110.776 -177.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -93.85 -4.04 50.79 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.578 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -163.77 53.82 0.16 Allowed 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 118.835 -1.146 . . . . 0.0 108.481 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.75 152.17 40.74 Favored Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.002 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.54 151.87 22.92 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.458 1.438 . . . . 0.0 111.602 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -81.73 -13.53 57.69 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.844 -1.142 . . . . 0.0 109.78 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.23 -33.0 74.95 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.577 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.56 -34.23 62.88 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.512 -1.275 . . . . 0.0 108.958 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.7 mt -77.56 -30.04 52.46 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 118.486 -1.286 . . . . 0.0 109.84 -176.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -83.83 -17.35 41.28 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 118.639 -1.225 . . . . 0.0 109.845 -177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 tpt -97.02 -25.04 15.51 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.689 -1.204 . . . . 0.0 110.606 -174.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.5 mt -126.1 21.76 7.38 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 118.328 -1.349 . . . . 0.0 111.244 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 . . . . . 0 C--N 1.321 -0.661 0 C-N-CA 118.65 -1.22 . . . . 0.0 108.527 174.697 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 121.654 0.74 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.0 p -129.97 134.23 47.31 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.587 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t -81.92 121.75 35.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.299 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -106.51 81.55 1.61 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.255 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -84.38 134.11 34.49 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 118.899 -1.12 . . . . 0.0 108.954 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 175.75 7.63 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.442 -178.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -137.04 -80.01 0.39 Allowed 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.464 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -110.92 -76.13 0.61 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.489 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.97 37.03 2.06 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 119.059 -1.543 . . . . 0.0 109.971 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -147.29 109.56 4.54 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.81 -1.156 . . . . 0.0 109.08 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.22 149.46 23.84 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.056 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -133.99 148.29 51.1 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.413 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -116.27 156.92 25.77 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.31 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -159.69 133.16 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 118.749 -1.181 . . . . 0.0 108.799 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.845 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 7.5 m-20 -87.74 154.63 20.41 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.21 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.61 -42.15 94.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.479 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -88.8 4.89 46.06 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 118.777 -1.169 . . . . 0.0 110.465 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.845 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 6.2 tmtt? -91.34 -19.32 23.06 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.002 -1.079 . . . . 0.0 108.538 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.6 mt -69.48 128.51 33.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 118.884 -1.126 . . . . 0.0 108.707 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.733 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 59.2 mtpt -123.6 137.7 54.69 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 118.884 -1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.733 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 28.6 mtpp 76.21 132.8 0.05 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.24 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -162.52 137.6 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 118.686 -1.206 . . . . 0.0 108.734 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -144.76 130.58 19.17 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.824 -1.15 . . . . 0.0 108.989 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -95.63 127.21 41.47 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.024 -1.071 . . . . 0.0 110.135 -175.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.6 p -164.3 130.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.49 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.9 -154.48 29.3 Favored Glycine 0 C--N 1.319 -0.373 0 C-N-CA 118.746 -1.692 . . . . 0.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -83.15 -77.24 0.25 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.908 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 28' ' ' MET . 2.1 mpt? -69.68 141.82 53.5 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.201 -175.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.3 mm -87.71 131.43 35.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 118.947 -1.101 . . . . 0.0 108.849 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 m -97.05 164.55 12.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.711 -178.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -166.68 173.3 9.77 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.095 -1.042 . . . . 0.0 108.625 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.3 p -127.75 95.07 4.11 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.869 -1.132 . . . . 0.0 109.407 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -78.32 131.79 37.17 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.236 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -92.25 124.09 36.07 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.772 -1.171 . . . . 0.0 110.796 -173.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -137.71 -59.07 0.67 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 122.107 0.956 . . . . 0.0 108.55 175.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.13 -42.74 94.27 Favored Glycine 0 C--N 1.317 -0.507 0 C-N-CA 119.195 -1.479 . . . . 0.0 110.609 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.89 -68.49 2.0 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 118.862 -1.637 . . . . 0.0 109.02 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.73 -25.97 43.98 Favored Glycine 0 C--N 1.32 -0.36 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 174.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -117.57 64.31 0.74 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.296 -0.962 . . . . 0.0 108.551 176.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.6 m -59.68 132.36 53.72 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.677 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.51 137.95 14.19 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 118.809 -1.663 . . . . 0.0 110.324 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -110.14 144.51 38.67 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.01 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.73 -171.96 20.06 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 118.813 -1.66 . . . . 0.0 109.983 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.89 159.04 23.29 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.525 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -161.44 140.83 2.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 118.859 -1.136 . . . . 0.0 108.356 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -62.9 147.18 51.05 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.503 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -97.72 9.05 43.57 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.111 -1.036 . . . . 0.0 110.073 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -80.78 -26.27 37.34 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.656 -1.218 . . . . 0.0 109.64 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -128.54 30.7 5.11 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.56 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.43 157.55 58.55 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 118.821 -1.151 . . . . 0.0 108.32 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -49.79 155.13 4.22 Favored 'Trans proline' 0 C--N 1.329 -0.478 0 C-N-CA 121.52 1.48 . . . . 0.0 112.182 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -79.22 -16.97 55.7 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.862 -1.135 . . . . 0.0 110.675 -174.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.92 -32.17 72.45 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 118.891 -1.123 . . . . 0.0 109.998 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.5 mt -75.51 -28.71 59.25 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.666 -1.214 . . . . 0.0 109.609 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.24 -35.46 68.84 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.301 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -85.15 -14.16 47.87 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.853 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.5 tpp -83.75 -17.75 40.13 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.137 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.984 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 82.9 mt -131.77 89.66 2.73 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.984 ' CG ' ' HA ' ' A' ' 58' ' ' LEU . 46.6 mt-10 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 120.123 -1.611 . . . . 0.0 107.784 -0.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.1 p -129.48 164.22 24.19 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 81.8 t -124.78 125.04 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -78.07 147.61 34.65 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.731 -1.187 . . . . 0.0 108.882 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -160.91 76.75 0.56 Allowed 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.707 -1.197 . . . . 0.0 109.134 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 20.1 ptpt -77.76 128.01 33.34 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.769 -1.173 . . . . 0.0 109.199 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -77.24 -57.25 3.94 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.67 -1.212 . . . . 0.0 108.784 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -136.62 -98.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.05 20.09 44.37 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.073 -1.061 . . . . 0.0 110.825 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -130.22 111.05 12.04 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -70.56 138.71 51.16 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 118.735 -1.186 . . . . 0.0 109.435 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -135.19 152.65 51.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -130.87 144.15 51.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.1 m -126.66 135.36 63.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -84.82 146.36 27.38 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.718 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mp -78.35 -29.63 15.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.415 -175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.3 m -82.09 -21.53 36.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.893 -175.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -85.37 -15.8 41.96 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.815 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.5 mt -78.5 96.32 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -85.15 -54.74 4.43 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.42 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.172 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 75.7 mmtt -71.19 125.66 27.51 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.837 -1.145 . . . . 0.0 108.776 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -160.16 132.33 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.788 -1.165 . . . . 0.0 108.65 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -153.13 130.73 11.49 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.201 -0.999 . . . . 0.0 108.815 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -81.71 128.04 33.56 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.926 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.9 p -160.36 131.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 118.896 -1.121 . . . . 0.0 108.485 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.45 -164.27 52.67 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 118.657 -1.735 . . . . 0.0 110.003 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -50.32 10.55 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.481 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 64.7 mtt -77.45 124.37 27.8 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.708 -1.197 . . . . 0.0 109.193 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.8 mm -78.12 116.79 22.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 118.927 -1.109 . . . . 0.0 108.129 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.0 m -80.25 158.65 26.14 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.936 -1.106 . . . . 0.0 109.344 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -161.72 167.6 24.74 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 118.798 -1.161 . . . . 0.0 108.977 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 1.172 ' OG1' ' HB2' ' A' ' 21' ' ' LYS . 44.7 p -129.11 92.68 3.43 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -76.46 128.95 35.8 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 118.861 -1.136 . . . . 0.0 109.112 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -80.21 123.01 27.55 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.403 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -162.27 81.0 0.53 Allowed 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.712 -1.195 . . . . 0.0 108.554 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.19 -33.49 0.38 Allowed Glycine 0 CA--C 1.52 0.406 0 C-N-CA 118.7 -1.714 . . . . 0.0 109.945 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.5 30.7 48.3 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 118.715 -1.707 . . . . 0.0 109.869 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.31 -36.5 0.4 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.76 -1.686 . . . . 0.0 109.825 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.43 -49.28 13.76 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.141 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.7 m 59.23 96.78 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.976 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.606 ' C ' ' HG3' ' A' ' 42' ' ' ARG . . . -70.01 174.96 36.0 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 118.738 -1.696 . . . . 0.0 110.126 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.606 ' HG3' ' C ' ' A' ' 41' ' ' GLY . 79.7 mtp180 -159.39 143.98 15.34 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.827 -1.149 . . . . 0.0 109.319 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.92 -150.15 5.81 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 118.828 -1.653 . . . . 0.0 109.788 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.81 175.21 11.5 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.63 -1.228 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.1 p -159.76 132.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 118.78 -1.168 . . . . 0.0 108.524 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.7 m -70.25 164.03 25.19 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.425 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -102.55 37.2 1.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.375 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -79.41 -30.58 42.46 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.897 -1.121 . . . . 0.0 109.214 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.41 74.18 0.61 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.866 -1.134 . . . . 0.0 108.989 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.4 162.12 67.41 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -61.82 166.87 11.24 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 CA-C-N 122.47 1.918 . . . . 0.0 112.609 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -81.61 -25.75 35.45 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.874 -1.13 . . . . 0.0 109.983 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -82.58 -22.82 34.71 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 119.103 -1.039 . . . . 0.0 110.108 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.6 tt -77.3 -32.51 55.44 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.933 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.594 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 91.5 mt -77.09 -31.57 56.02 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.734 -1.187 . . . . 0.0 109.504 -177.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -80.76 -26.96 36.92 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.642 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.6 tpp -71.28 -53.65 13.55 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.627 -1.229 . . . . 0.0 109.306 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.1 mt -75.82 -52.32 10.64 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 118.605 -1.238 . . . . 0.0 108.871 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.594 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 52.0 mt-10 -85.71 80.51 8.96 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.467 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -81.81 92.29 6.65 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.032 -1.067 . . . . 0.0 108.773 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -77.61 -59.51 2.75 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 118.649 -1.221 . . . . 0.0 108.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? . . . . . 0 C--O 1.25 1.088 0 C-N-CA 118.723 -1.191 . . . . 0.0 108.533 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 121.674 0.75 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.9 p -122.97 162.59 22.02 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.121 -1.031 . . . . 0.0 108.936 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.0 t -104.36 120.86 55.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.032 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.49 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 23.9 tptp -70.56 141.51 51.83 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.501 -1.279 . . . . 0.0 109.149 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -156.32 97.74 1.79 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.528 -1.269 . . . . 0.0 109.668 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -80.01 132.28 35.97 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.111 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.721 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 53.1 t80 -91.81 -87.88 0.2 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.721 -1.192 . . . . 0.0 108.565 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.721 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 14.3 mmmm -115.04 -70.7 0.78 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.147 -1.021 . . . . 0.0 108.459 176.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.14 35.77 2.31 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 119.157 -1.497 . . . . 0.0 109.534 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -145.0 142.4 29.77 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.481 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -84.74 144.77 28.3 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.67 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.4 tp -152.08 100.45 2.63 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 118.597 -1.241 . . . . 0.0 108.846 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -91.45 110.63 21.94 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.79 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 m -88.02 176.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 C-N-CA 118.939 -1.104 . . . . 0.0 108.636 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -121.06 152.06 39.09 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.454 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mp -71.76 -36.57 59.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 119.198 -1.001 . . . . 0.0 109.296 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.3 t -86.69 2.37 48.79 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.766 -1.174 . . . . 0.0 111.015 -173.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.624 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 24.3 ttmm -102.16 3.5 38.51 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.909 -1.116 . . . . 0.0 109.76 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.7 mt -89.18 123.67 41.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 118.716 -1.194 . . . . 0.0 108.965 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 87.1 tttt -116.5 148.07 41.16 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.958 -1.097 . . . . 0.0 108.859 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.972 ' HG3' ' HZ3' ' A' ' 23' ' ' TRP . 4.0 tppp? 67.25 93.25 0.07 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 118.569 -1.252 . . . . 0.0 108.717 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.82 138.87 52.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.023 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.972 ' HZ3' ' HG3' ' A' ' 21' ' ' LYS . 44.2 p90 -153.09 127.68 9.38 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.71 -1.196 . . . . 0.0 109.125 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -97.24 127.37 43.14 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.129 -1.029 . . . . 0.0 109.872 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.3 p -163.5 131.48 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 118.969 -1.093 . . . . 0.0 108.498 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.68 -145.87 18.16 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 118.757 -1.687 . . . . 0.0 110.016 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -94.41 -69.01 0.77 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.955 -1.098 . . . . 0.0 108.589 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 88.0 mtp -72.31 176.39 5.32 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.671 -1.212 . . . . 0.0 109.15 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.7 mt -116.55 130.31 71.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 119.127 -1.029 . . . . 0.0 108.552 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 55.9 m -100.68 158.77 15.71 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.3 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -166.0 170.2 13.85 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.845 -1.142 . . . . 0.0 109.482 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.438 ' OG1' ' HB3' ' A' ' 21' ' ' LYS . 69.4 p -124.64 87.96 2.81 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.233 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -68.36 134.72 50.69 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.519 -1.273 . . . . 0.0 108.065 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -82.77 122.03 27.66 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 118.382 -1.327 . . . . 0.0 110.107 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -163.64 67.3 0.18 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.04 -52.43 0.08 OUTLIER Glycine 0 CA--C 1.521 0.409 0 C-N-CA 118.546 -1.787 . . . . 0.0 110.377 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.16 -52.75 1.07 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 119.023 -1.561 . . . . 0.0 109.392 -176.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 39' ' ' LYS . . . -129.09 41.44 1.55 Allowed Glycine 0 C--N 1.319 -0.374 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.638 ' HB3' ' O ' ' A' ' 38' ' ' GLY . 14.0 ptmm? 168.18 63.25 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 118.993 -1.083 . . . . 0.0 109.011 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 68.3 p -63.48 167.42 5.54 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.061 -1.056 . . . . 0.0 109.42 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.57 135.99 12.81 Favored Glycine 0 N--CA 1.461 0.352 0 C-N-CA 118.867 -1.635 . . . . 0.0 110.113 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -96.95 139.97 32.18 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 118.979 -1.088 . . . . 0.0 108.768 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.13 -171.02 15.89 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 118.879 -1.629 . . . . 0.0 109.795 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.17 160.52 24.25 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.622 -1.231 . . . . 0.0 109.562 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 p -155.83 136.09 4.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 118.911 -1.116 . . . . 0.0 108.282 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.7 m -66.78 152.54 45.34 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 118.751 -1.18 . . . . 0.0 109.382 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -97.78 43.69 1.06 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.003 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -83.62 -22.75 32.12 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 118.802 -1.159 . . . . 0.0 108.937 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -160.3 57.14 0.35 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.833 -1.147 . . . . 0.0 108.599 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.82 153.58 55.1 Favored Pre-proline 0 C--N 1.321 -0.668 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.786 -178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -52.92 158.43 6.49 Favored 'Trans proline' 0 C--N 1.327 -0.595 0 C-N-CA 121.527 1.485 . . . . 0.0 112.007 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -79.66 -16.98 54.74 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.827 -1.149 . . . . 0.0 110.361 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -64.91 -34.26 77.97 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.275 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.04 -34.12 66.12 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.563 -1.255 . . . . 0.0 109.568 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 83.5 mt -75.61 -32.72 60.4 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.165 -1.414 . . . . 0.0 109.493 -176.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -81.07 -18.82 45.3 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 118.392 -1.323 . . . . 0.0 110.187 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.9 tpt -76.82 -32.5 57.64 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 118.504 -1.278 . . . . 0.0 109.068 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.3 mt -108.46 21.57 17.13 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 118.206 -1.398 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 46.5 mt-10 -160.39 38.9 0.17 Allowed 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 pptp? -65.49 132.0 47.81 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 118.768 -1.173 . . . . 0.0 108.875 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -169.99 173.77 5.85 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.087 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp . . . . . 0 C--O 1.249 1.056 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.814 179.483 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 121.781 0.801 . . . . 0.0 109.181 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 t -163.51 160.2 22.92 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.648 -1.221 . . . . 0.0 109.583 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.1 p -158.04 130.49 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 C-N-CA 119.002 -1.079 . . . . 0.0 108.346 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -91.17 103.93 16.55 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.723 -1.191 . . . . 0.0 109.231 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -82.66 85.18 7.06 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.898 -1.121 . . . . 0.0 108.385 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.6 143.94 53.14 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.781 -1.168 . . . . 0.0 110.08 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -140.45 151.18 44.66 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 175.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -67.1 -25.45 66.22 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.645 -1.222 . . . . 0.0 110.311 -176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.03 -39.49 23.6 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 118.702 -1.713 . . . . 0.0 110.722 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -167.49 134.13 2.21 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.438 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.7 144.51 50.98 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.719 -1.192 . . . . 0.0 109.123 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -133.46 169.96 16.19 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.023 -1.071 . . . . 0.0 108.802 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -144.49 100.18 3.49 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.78 133.79 42.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 119.112 -1.035 . . . . 0.0 108.524 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -87.48 151.25 23.19 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.794 -1.162 . . . . 0.0 109.179 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.9 mm -79.94 -23.3 11.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.478 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -89.55 3.22 53.19 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.831 -1.147 . . . . 0.0 110.905 -175.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -113.11 15.69 19.43 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 118.911 -1.115 . . . . 0.0 109.423 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.8 mt -120.59 114.94 45.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 C-N-CA 118.924 -1.111 . . . . 0.0 108.622 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -76.8 -76.89 0.15 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 118.634 -1.226 . . . . 0.0 108.001 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.628 ' HA ' HG22 ' A' ' 22' ' ' VAL . 59.4 mtmt -109.82 135.77 50.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 176.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.628 HG22 ' HA ' ' A' ' 21' ' ' LYS 0.39 1.9 m 56.61 95.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 123.762 2.983 . . . . 0.0 114.462 7.272 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.6 p90 -163.29 131.88 3.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.399 -1.273 . . . . 0.0 107.607 171.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.24 133.26 34.09 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.641 -1.224 . . . . 0.0 109.841 -171.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.3 t -124.66 -19.58 3.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.62 -130.32 1.21 Allowed Glycine 0 C--N 1.317 -0.474 0 C-N-CA 118.929 -1.605 . . . . 0.0 110.169 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -90.76 -32.03 16.29 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.658 -1.217 . . . . 0.0 110.686 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 61.6 mtt -87.98 133.72 33.88 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 118.613 -1.235 . . . . 0.0 108.369 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.7 mm -87.46 119.78 35.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 118.61 -1.236 . . . . 0.0 108.733 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.2 t -90.55 153.55 20.27 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.88 -1.128 . . . . 0.0 108.461 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -161.81 149.24 14.46 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.209 -1.396 . . . . 0.0 109.64 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.415 HG22 ' HG2' ' A' ' 42' ' ' ARG . 71.0 p -123.74 104.17 8.82 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -89.22 160.8 16.77 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.921 -1.111 . . . . 0.0 108.519 177.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -95.08 121.0 36.26 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.678 -1.209 . . . . 0.0 110.331 -175.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -166.19 84.2 0.3 Allowed 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.216 -0.994 . . . . 0.0 108.551 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.02 -45.11 0.18 Allowed Glycine 0 CA--C 1.52 0.384 0 C-N-CA 118.376 -1.869 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.68 45.39 76.49 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 108.458 -1.857 . . . . 0.0 108.458 -174.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.72 -30.21 2.51 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 108.563 -1.815 . . . . 0.0 108.563 -174.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -123.4 75.29 1.31 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.9 m -65.1 134.61 54.16 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 119.211 -0.996 . . . . 0.0 109.427 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.94 156.02 43.42 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 118.713 -1.708 . . . . 0.0 110.114 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' HG2' HG22 ' A' ' 32' ' ' THR . 84.1 mtm180 -150.23 140.41 22.16 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.941 -1.104 . . . . 0.0 109.095 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.76 -157.73 9.05 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 118.741 -1.695 . . . . 0.0 109.996 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -161.76 174.06 13.74 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.365 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.9 p -156.67 134.83 2.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.294 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.3 p -67.62 148.62 51.15 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.731 -1.187 . . . . 0.0 109.819 -177.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -83.67 -15.8 47.48 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.108 -1.037 . . . . 0.0 109.577 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.34 -31.81 71.47 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.883 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -128.71 65.01 1.43 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.963 -1.095 . . . . 0.0 109.346 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -120.18 150.99 52.52 Favored Pre-proline 0 C--N 1.321 -0.642 0 C-N-CA 118.934 -1.107 . . . . 0.0 108.71 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.26 143.11 54.3 Favored 'Trans proline' 0 C--N 1.328 -0.549 0 C-N-CA 121.528 1.485 . . . . 0.0 111.532 178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -81.27 -20.31 41.16 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.369 -175.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.5 -19.14 61.0 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.779 -1.168 . . . . 0.0 110.346 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 54' ' ' LEU . 5.4 tt -86.29 -30.04 22.6 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.104 -1.038 . . . . 0.0 108.268 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.6 mt -82.14 -13.79 56.67 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.767 -1.173 . . . . 0.0 110.696 -175.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -78.34 -21.48 49.47 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.586 -1.246 . . . . 0.0 109.569 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.5 tpp -73.9 -25.84 60.22 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.631 -1.227 . . . . 0.0 108.876 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.891 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 87.4 mt -132.95 87.1 2.37 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.891 ' CG ' ' HA ' ' A' ' 58' ' ' LEU . 43.4 mt-10 -154.16 -91.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 120.349 -1.47 . . . . 0.0 107.709 -1.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.872 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 14.8 ptmm? 146.35 148.89 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 118.883 -1.127 . . . . 0.0 108.918 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -125.28 -100.75 0.39 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.036 -1.065 . . . . 0.0 108.929 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? . . . . . 0 C--O 1.249 1.077 0 C-N-CA 118.67 -1.212 . . . . 0.0 108.146 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 121.716 0.77 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.9 p -127.91 132.73 49.27 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.713 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.9 t -93.33 120.13 42.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 118.836 -1.146 . . . . 0.0 108.528 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -79.78 92.56 5.46 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.728 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -85.87 78.32 9.53 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.869 -1.132 . . . . 0.0 108.472 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -73.16 148.64 43.65 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.911 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -151.24 152.05 32.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -67.01 -27.72 67.65 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.869 -1.132 . . . . 0.0 110.228 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.627 ' O ' ' HB2' ' A' ' 10' ' ' GLU . . . -74.09 -29.14 63.07 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 118.824 -1.655 . . . . 0.0 110.655 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.627 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 42.1 tt0 174.61 136.33 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.433 -1.307 . . . . 0.0 109.471 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -76.81 133.95 39.23 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 118.877 -1.129 . . . . 0.0 108.9 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -133.34 146.98 51.81 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.065 -1.054 . . . . 0.0 108.612 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -120.4 101.06 7.53 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.16 -1.016 . . . . 0.0 109.089 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.26 177.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.841 -1.144 . . . . 0.0 109.004 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -125.87 147.55 49.43 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.087 -1.045 . . . . 0.0 108.841 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.9 pp -82.39 -13.89 12.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 118.924 -1.11 . . . . 0.0 110.004 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.5 t -93.88 -6.02 46.65 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.646 -1.222 . . . . 0.0 110.213 -176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -103.54 11.93 35.67 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.849 -1.14 . . . . 0.0 109.628 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.9 mt -94.01 98.94 8.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 C-N-CA 118.811 -1.156 . . . . 0.0 108.623 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -91.24 -74.99 0.48 Allowed 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.447 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -74.28 141.41 45.3 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.551 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -159.63 137.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 118.815 -1.154 . . . . 0.0 108.733 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 38.4 p90 -152.37 134.93 15.3 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.273 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' H ' ' HD2' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -91.01 145.81 24.39 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.629 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.1 t -118.01 -21.5 4.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 119.108 -1.037 . . . . 0.0 108.897 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.84 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . 131.71 111.08 1.33 Allowed Glycine 0 C--N 1.318 -0.444 0 C-N-CA 119.12 -1.514 . . . . 0.0 110.342 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.84 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 3.9 tmtp? 102.86 -50.05 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.856 -1.138 . . . . 0.0 108.772 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 60.5 mtt -132.34 172.07 12.92 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.077 -1.049 . . . . 0.0 108.883 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mm -114.23 115.12 48.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.69 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.4 t -80.64 154.61 27.28 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 118.757 -1.177 . . . . 0.0 109.02 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -162.36 158.8 24.52 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.562 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.6 p -123.04 88.37 2.92 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.046 -1.062 . . . . 0.0 109.192 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -76.46 135.48 39.39 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 118.594 -1.242 . . . . 0.0 108.259 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -84.17 122.05 28.31 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.527 -1.269 . . . . 0.0 109.865 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -164.37 78.58 0.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.416 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.16 -44.04 0.07 OUTLIER Glycine 0 CA--C 1.519 0.313 0 C-N-CA 118.586 -1.768 . . . . 0.0 110.311 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.33 39.98 80.89 Favored Glycine 0 C--N 1.319 -0.367 0 C-N-CA 118.654 -1.736 . . . . 0.0 109.482 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.92 -17.41 1.21 Allowed Glycine 0 CA--C 1.52 0.368 0 N-CA-C 108.824 -1.71 . . . . 0.0 108.824 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -153.68 77.6 1.11 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.093 -1.043 . . . . 0.0 108.323 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.4 t -64.56 160.57 19.25 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.992 -1.083 . . . . 0.0 109.701 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.69 133.91 11.89 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 118.998 -1.573 . . . . 0.0 110.398 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -105.0 143.02 33.76 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.116 -1.034 . . . . 0.0 108.808 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -154.78 -169.74 19.74 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 118.657 -1.735 . . . . 0.0 110.009 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.09 160.67 33.35 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.753 -1.179 . . . . 0.0 109.314 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 p -161.05 136.57 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.844 -1.142 . . . . 0.0 108.422 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.1 p -67.18 149.88 49.88 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.699 -1.2 . . . . 0.0 109.25 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -98.88 21.58 11.35 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.071 -1.051 . . . . 0.0 109.948 -178.635 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -80.42 -24.16 39.83 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.394 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -141.79 67.38 1.33 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.965 -1.094 . . . . 0.0 108.771 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -110.36 157.11 39.05 Favored Pre-proline 0 C--N 1.322 -0.63 0 C-N-CA 119.203 -0.999 . . . . 0.0 108.429 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -51.01 159.68 2.38 Favored 'Trans proline' 0 C--N 1.328 -0.525 0 C-N-CA 121.518 1.478 . . . . 0.0 112.106 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -69.14 -28.16 66.2 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.008 -1.077 . . . . 0.0 111.124 -174.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -62.13 -38.62 89.65 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.016 -1.074 . . . . 0.0 110.544 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -79.82 -23.37 42.1 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.592 -1.243 . . . . 0.0 110.044 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.81 -28.0 50.2 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.578 -1.249 . . . . 0.0 109.718 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -82.76 -12.85 57.21 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.75 -1.18 . . . . 0.0 109.763 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.2 tpp -81.33 -24.43 37.14 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.095 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.4 mt -120.83 47.5 1.8 Allowed 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.932 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -152.2 66.72 0.84 Allowed 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 118.904 -1.119 . . . . 0.0 108.48 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -85.65 109.43 18.57 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -112.36 173.18 6.49 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.062 -1.055 . . . . 0.0 108.973 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.3 tptp . . . . . 0 C--O 1.25 1.123 0 C-N-CA 118.756 -1.177 . . . . 0.0 109.068 -179.626 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 121.677 0.751 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.0 p -127.34 168.63 14.54 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 119.223 -0.991 . . . . 0.0 108.661 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.72 129.81 18.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.762 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.713 ' HG2' ' H ' ' A' ' 5' ' ' PHE . 39.4 ttmt -82.38 175.32 10.34 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.755 -1.178 . . . . 0.0 110.271 -176.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.713 ' H ' ' HG2' ' A' ' 4' ' ' LYS . 53.2 t80 -164.63 86.03 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.838 -1.145 . . . . 0.0 108.932 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -77.92 130.68 36.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.632 -1.227 . . . . 0.0 109.591 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.489 ' CD2' ' HG3' ' A' ' 8' ' ' LYS . 40.0 t80 -85.39 -80.86 0.21 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 118.872 -1.131 . . . . 0.0 108.325 177.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.489 ' HG3' ' CD2' ' A' ' 7' ' ' TYR . 28.7 mtpp -114.95 -69.44 0.86 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 119.014 -1.074 . . . . 0.0 108.796 174.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.98 29.68 3.88 Favored Glycine 0 N--CA 1.462 0.38 0 C-N-CA 119.1 -1.524 . . . . 0.0 109.847 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -127.79 -171.73 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.161 -1.016 . . . . 0.0 108.922 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -149.26 135.97 19.54 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.898 -1.121 . . . . 0.0 109.443 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.8 mt -137.01 122.24 19.25 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -92.55 162.7 14.09 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.944 -1.103 . . . . 0.0 109.469 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.9 p -157.91 132.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 118.903 -1.119 . . . . 0.0 108.757 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -92.0 153.61 19.33 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.969 -1.092 . . . . 0.0 108.832 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mp -65.9 -31.45 53.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 119.455 -0.898 . . . . 0.0 108.983 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 m -72.63 -25.43 61.29 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 118.841 -1.144 . . . . 0.0 111.193 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -82.8 -18.74 39.46 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 118.43 -1.308 . . . . 0.0 110.465 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.9 mt -70.32 108.7 2.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 C-N-CA 118.349 -1.34 . . . . 0.0 108.187 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -93.88 -89.17 0.22 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.903 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -68.66 144.32 54.5 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.855 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.5 135.78 6.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 118.928 -1.109 . . . . 0.0 108.71 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -144.39 169.1 18.58 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.857 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -145.79 85.47 1.7 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.626 -1.229 . . . . 0.0 110.071 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -127.8 82.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 174.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.66 -146.23 12.19 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 118.615 -1.755 . . . . 0.0 110.027 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -89.91 -68.42 0.78 Allowed 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.468 -178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 59.8 mtt -90.03 165.33 14.09 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.867 -1.133 . . . . 0.0 109.061 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.0 mt -90.34 125.52 43.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 118.927 -1.109 . . . . 0.0 108.867 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.7 t -95.06 162.53 13.68 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.045 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -161.88 170.79 18.82 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.979 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.4 p -125.05 98.83 5.84 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.846 -1.142 . . . . 0.0 109.951 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -79.85 146.26 32.31 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 118.823 -1.151 . . . . 0.0 108.063 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -100.46 90.3 4.25 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.721 -1.192 . . . . 0.0 110.107 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -133.65 81.86 1.95 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.249 -0.981 . . . . 0.0 108.567 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.88 -42.79 0.03 OUTLIER Glycine 0 C--N 1.319 -0.374 0 C-N-CA 118.495 -1.812 . . . . 0.0 110.427 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.68 40.62 90.19 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 118.589 -1.767 . . . . 0.0 108.958 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 137.37 -5.95 3.57 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 -175.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -148.48 76.9 1.38 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.103 -1.039 . . . . 0.0 108.52 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.4 m -64.54 129.73 40.98 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.275 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.13 145.64 17.78 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 118.831 -1.652 . . . . 0.0 110.291 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -113.02 143.02 45.02 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.133 -1.027 . . . . 0.0 108.99 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -150.41 -167.84 14.82 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 118.812 -1.661 . . . . 0.0 109.786 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.56 164.45 31.99 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 118.601 -1.24 . . . . 0.0 109.431 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.6 p -161.63 136.17 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 118.773 -1.171 . . . . 0.0 108.29 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.9 m -67.77 151.94 46.4 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.392 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -98.57 15.91 23.57 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 119.056 -1.057 . . . . 0.0 110.395 -176.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 4.4 ttmp? -95.18 3.79 54.29 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.698 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -159.28 47.34 0.3 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.046 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.06 156.29 42.09 Favored Pre-proline 0 C--N 1.321 -0.643 0 C-N-CA 119.072 -1.051 . . . . 0.0 108.577 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -51.22 157.55 4.29 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 121.619 1.546 . . . . 0.0 112.028 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -81.83 -10.72 59.24 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 118.914 -1.115 . . . . 0.0 110.99 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -65.7 -35.56 81.11 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.657 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.1 mt -78.93 -25.79 43.68 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.636 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.1 mt -79.65 -24.13 42.05 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.641 -1.224 . . . . 0.0 109.986 -177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -79.02 -17.72 54.84 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.774 -1.17 . . . . 0.0 109.714 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.0 ttt -66.15 -40.55 90.64 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 118.894 -1.122 . . . . 0.0 109.849 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.3 mt -99.28 -22.74 15.46 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.17 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -101.04 64.89 1.06 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.848 -1.141 . . . . 0.0 109.192 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.45 94.43 5.57 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.637 -1.225 . . . . 0.0 108.865 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -96.83 175.09 6.48 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.006 -1.078 . . . . 0.0 108.876 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt . . . . . 0 C--O 1.251 1.14 0 C-N-CA 118.751 -1.18 . . . . 0.0 108.973 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 121.895 0.855 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.3 t -158.04 156.4 31.02 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.729 -1.189 . . . . 0.0 109.129 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.7 t -122.21 127.45 75.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 119.093 -1.043 . . . . 0.0 109.103 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -76.57 94.07 3.68 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.725 -1.19 . . . . 0.0 108.911 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -98.21 82.84 2.99 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.889 -175.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -172.13 2.96 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.651 -1.22 . . . . 0.0 108.715 176.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.485 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 51.6 t80 -143.94 -89.44 0.12 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.699 -1.201 . . . . 0.0 109.021 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HG2' ' CD2' ' A' ' 7' ' ' TYR . 7.0 mmpt? -103.42 -76.68 0.58 Allowed 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.698 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.53 30.42 4.03 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 119.199 -1.477 . . . . 0.0 109.553 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -123.68 -175.13 3.14 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.91 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -147.53 132.82 18.46 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.871 -1.132 . . . . 0.0 108.998 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.39 174.44 9.86 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.104 -1.038 . . . . 0.0 108.216 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -151.34 94.31 2.01 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.285 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -74.61 178.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.885 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -133.9 161.47 34.67 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 118.99 -1.084 . . . . 0.0 108.748 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 8.0 tp -80.18 -17.35 12.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 118.952 -1.099 . . . . 0.0 111.078 -171.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -95.42 -20.33 19.17 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.542 -1.263 . . . . 0.0 111.423 -171.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.652 ' HD3' ' HB3' ' A' ' 34' ' ' ASP . 24.6 ttmm -93.33 -2.14 55.2 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.52 -1.272 . . . . 0.0 110.742 -173.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.6 mt -71.69 118.39 16.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 118.305 -1.358 . . . . 0.0 108.294 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -92.88 -102.95 0.12 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.874 -1.131 . . . . 0.0 110.017 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -74.62 144.17 44.02 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.781 -1.168 . . . . 0.0 110.262 -174.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -150.91 136.89 12.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.7 p90 -143.52 167.95 21.0 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.839 -1.144 . . . . 0.0 109.733 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.718 ' HG2' ' CD1' ' A' ' 29' ' ' ILE . 4.4 tmt_? -138.85 120.69 15.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -177.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 p -159.01 35.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.825 1.298 . . . . 0.0 108.303 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.08 -143.96 4.32 Favored Glycine 0 C--N 1.319 -0.395 0 C-N-CA 118.739 -1.696 . . . . 0.0 110.124 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -84.07 -73.91 0.4 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 118.921 -1.111 . . . . 0.0 109.339 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 57.9 mtt -82.82 155.39 24.21 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.728 -1.189 . . . . 0.0 109.355 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.718 ' CD1' ' HG2' ' A' ' 24' ' ' ARG . 49.6 mm -89.96 127.21 42.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.044 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.6 t -94.25 161.85 14.09 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.36 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -162.77 162.76 26.82 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.996 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.7 p -123.4 91.05 3.39 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.94 -1.104 . . . . 0.0 109.269 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -76.71 144.81 39.08 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.763 -1.175 . . . . 0.0 108.41 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.652 ' HB3' ' HD3' ' A' ' 18' ' ' LYS . 34.3 t70 -82.21 137.49 34.89 Favored 'General case' 0 C--N 1.319 -0.717 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.616 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -164.1 89.08 0.54 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.131 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.94 -37.02 2.23 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 118.935 -1.602 . . . . 0.0 110.185 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.09 48.47 19.89 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 118.617 -1.754 . . . . 0.0 109.725 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.72 -15.39 0.15 Allowed Glycine 0 CA--C 1.52 0.362 0 C-N-CA 118.773 -1.679 . . . . 0.0 109.769 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -115.44 -39.72 3.53 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.171 -1.011 . . . . 0.0 108.867 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 m 57.79 98.38 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.075 0.941 . . . . 0.0 110.343 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.78 152.71 49.36 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 118.671 -1.728 . . . . 0.0 110.048 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -133.79 122.78 23.77 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.113 -1.035 . . . . 0.0 109.219 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.89 -161.67 9.52 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 119.046 -1.55 . . . . 0.0 109.514 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.84 167.22 23.1 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 118.573 -1.251 . . . . 0.0 109.538 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 p -160.25 135.66 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.302 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -66.61 145.71 55.3 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.681 -1.208 . . . . 0.0 108.925 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -100.98 36.36 1.98 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.938 -1.105 . . . . 0.0 109.254 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -82.6 -23.37 34.41 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.896 177.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -151.03 61.31 0.91 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.975 -1.09 . . . . 0.0 108.458 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 154.53 64.59 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 118.877 -1.129 . . . . 0.0 108.551 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.92 147.03 10.86 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 C-N-CA 121.503 1.469 . . . . 0.0 111.333 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -74.93 -23.88 58.4 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.59 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.28 -31.2 70.49 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.234 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 54' ' ' LEU . 2.6 tt -77.03 -29.68 55.41 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.736 -1.185 . . . . 0.0 108.51 -178.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.2 -30.74 63.73 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 118.661 -1.216 . . . . 0.0 110.099 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -86.09 -5.29 59.24 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.669 -1.212 . . . . 0.0 110.055 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 ttt -91.39 -27.85 18.06 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.844 -1.143 . . . . 0.0 110.139 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.97 24.51 8.25 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 118.522 -1.271 . . . . 0.0 110.299 -174.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -133.6 66.46 1.55 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.124 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -89.57 111.54 22.5 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.712 -1.195 . . . . 0.0 108.543 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -115.75 -108.73 0.37 Allowed 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 118.98 -1.088 . . . . 0.0 109.064 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.9 tptm . . . . . 0 C--O 1.25 1.107 0 C-N-CA 118.632 -1.227 . . . . 0.0 109.154 -178.915 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.515 0 CA-C-O 121.661 0.743 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.2 p -129.64 138.08 51.02 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.815 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.8 t -89.4 125.57 42.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 C-N-CA 118.787 -1.165 . . . . 0.0 108.335 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -115.04 94.75 4.88 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.066 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -91.36 135.54 33.75 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.017 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -107.43 -173.93 2.41 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.146 -1.022 . . . . 0.0 109.403 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -144.92 -81.28 0.16 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.967 -1.093 . . . . 0.0 109.076 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.61 -78.08 0.59 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.985 -1.086 . . . . 0.0 108.962 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.09 24.92 5.0 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 119.042 -1.551 . . . . 0.0 110.093 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -127.43 177.68 6.58 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.45 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.09 134.91 13.72 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.694 -1.203 . . . . 0.0 109.592 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 mp -118.85 168.05 11.13 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.38 133.78 26.41 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.942 -1.103 . . . . 0.0 108.993 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -128.15 146.16 34.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 119.214 -0.995 . . . . 0.0 109.296 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.406 ' HB3' ' CB ' ' A' ' 18' ' ' LYS . 23.7 t0 -87.11 145.33 26.48 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 119.026 -1.069 . . . . 0.0 109.045 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -72.27 -34.98 51.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.653 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -85.23 -4.97 59.34 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 118.878 -1.129 . . . . 0.0 110.685 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 24.4 ttmm -93.86 0.83 56.4 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.976 -1.09 . . . . 0.0 110.152 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.1 mt -82.22 127.4 39.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 C-N-CA 118.679 -1.209 . . . . 0.0 108.886 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -125.81 154.28 42.84 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.171 -1.012 . . . . 0.0 108.895 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm 57.27 93.32 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.803 0.811 . . . . 0.0 110.379 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.23 148.1 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.009 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.0 p90 -151.92 146.67 25.81 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 118.738 -1.185 . . . . 0.0 109.018 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -114.21 121.21 43.02 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.076 -1.049 . . . . 0.0 110.14 -175.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 m -130.36 -172.6 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 175.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.841 ' O ' ' HB2' ' A' ' 27' ' ' LYS . . . -79.32 88.64 1.2 Allowed Glycine 0 CA--C 1.521 0.419 0 C-N-CA 118.724 -1.703 . . . . 0.0 110.334 -179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.841 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 62.0 tttm 154.0 73.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.539 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 22.8 mmt 60.08 -177.29 0.1 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.914 0.864 . . . . 0.0 110.405 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.2 mm -107.11 121.05 59.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.063 -1.055 . . . . 0.0 108.615 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.5 p -101.86 159.96 14.89 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.147 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -165.24 168.95 16.51 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 118.734 -1.187 . . . . 0.0 109.484 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.504 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 68.4 p -126.4 89.64 3.04 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.134 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -69.6 143.84 53.18 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 118.528 -1.269 . . . . 0.0 108.587 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -86.86 138.25 31.73 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.559 -1.256 . . . . 0.0 109.559 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -165.51 76.46 0.25 Allowed 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 119.08 -1.048 . . . . 0.0 108.472 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 153.3 -35.33 0.76 Allowed Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.803 -1.665 . . . . 0.0 109.898 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.94 -14.96 57.17 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 118.985 -1.578 . . . . 0.0 110.019 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.13 37.61 0.26 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.78 -1.676 . . . . 0.0 110.024 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -147.06 -40.06 0.19 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.3 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 43.0 p 53.0 -168.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.111 0.958 . . . . 0.0 110.731 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 32' ' ' THR . . . -157.93 135.18 4.2 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.787 -1.673 . . . . 0.0 109.951 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -97.75 146.62 25.2 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.998 -1.081 . . . . 0.0 109.197 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.6 -173.73 30.61 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 118.794 -1.67 . . . . 0.0 109.755 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.42 153.7 17.89 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 118.606 -1.238 . . . . 0.0 109.47 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 p -161.91 136.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 C-N-CA 118.821 -1.152 . . . . 0.0 108.416 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.9 p -65.5 150.45 48.36 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.486 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -89.85 -1.83 58.07 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.133 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -76.29 -28.58 57.05 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.741 -1.183 . . . . 0.0 109.314 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -106.53 47.46 0.88 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.715 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.36 154.69 43.61 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.91 166.64 29.45 Favored 'Trans proline' 0 C--N 1.326 -0.612 0 C-N-CA 121.235 1.29 . . . . 0.0 109.737 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -27.25 61.19 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.936 -1.106 . . . . 0.0 110.377 -174.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -68.43 -32.77 73.05 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 118.738 -1.185 . . . . 0.0 110.423 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 54' ' ' LEU . 4.1 tt -78.8 -33.33 46.29 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 118.548 -1.261 . . . . 0.0 108.587 -177.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -81.27 -24.29 37.39 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.611 -1.236 . . . . 0.0 110.277 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -97.22 23.13 7.74 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 118.769 -1.172 . . . . 0.0 109.419 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.4 tpp -116.79 -24.12 7.83 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.084 -1.046 . . . . 0.0 109.187 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.8 mt -127.3 -26.71 3.03 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.669 -1.212 . . . . 0.0 111.278 -176.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -90.71 71.77 6.71 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.459 -1.296 . . . . 0.0 110.875 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.26 106.14 5.76 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 118.61 -1.236 . . . . 0.0 108.027 171.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -124.02 156.38 36.58 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.081 -1.048 . . . . 0.0 108.875 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.0 mttm . . . . . 0 C--O 1.25 1.107 0 C-N-CA 119.103 -1.039 . . . . 0.0 108.888 -179.874 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.572 0 CA-C-O 121.726 0.774 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.8 p -126.95 151.92 47.86 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.754 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.8 t -120.68 128.36 76.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 C-N-CA 119.117 -1.033 . . . . 0.0 108.38 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -90.59 113.39 25.39 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.864 -1.135 . . . . 0.0 109.335 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -98.75 102.14 13.78 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.106 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.677 ' HG2' ' H ' ' A' ' 8' ' ' LYS . 41.0 ttmt -88.48 141.76 28.27 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.963 -1.095 . . . . 0.0 109.666 -178.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 1.267 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 68.3 t80 -127.03 18.64 7.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.247 1.022 . . . . 0.0 108.521 178.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 1.267 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 25.5 pttm 60.86 26.88 16.72 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 119.181 -1.008 . . . . 0.0 110.708 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -148.55 -50.7 0.02 OUTLIER Glycine 0 CA--C 1.521 0.46 0 C-N-CA 119.103 -1.522 . . . . 0.0 109.689 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -148.83 136.4 20.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.232 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.36 101.95 10.14 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.691 -1.204 . . . . 0.0 109.372 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.5 109.83 20.97 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.889 -1.124 . . . . 0.0 108.171 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -82.89 105.67 14.09 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 118.882 -1.127 . . . . 0.0 108.663 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.4 m -81.91 175.41 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 118.783 -1.167 . . . . 0.0 108.996 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.844 ' OD2' ' HG3' ' A' ' 18' ' ' LYS . 24.7 t0 -116.3 143.32 45.68 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.09 -1.044 . . . . 0.0 109.111 -178.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.7 tt -81.09 -16.77 12.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 118.964 -1.094 . . . . 0.0 110.001 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.0 m -98.34 0.76 46.12 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.095 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.844 ' HG3' ' OD2' ' A' ' 15' ' ' ASP . 29.3 mtpp -105.81 8.02 32.61 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.797 -1.161 . . . . 0.0 109.736 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.9 mt -91.44 82.89 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 118.603 -1.239 . . . . 0.0 108.946 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.72 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -88.4 138.1 31.74 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.604 177.239 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.72 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 49.7 mmtm 73.47 116.52 0.05 Allowed 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.581 -1.248 . . . . 0.0 108.832 -178.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.31 137.93 33.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 119.044 -1.062 . . . . 0.0 108.552 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 43.1 p90 -149.46 131.16 15.0 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.813 -1.155 . . . . 0.0 108.906 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -106.01 139.72 40.11 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.402 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -163.72 132.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 118.98 -1.088 . . . . 0.0 108.561 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.6 -130.72 10.45 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.841 -1.647 . . . . 0.0 109.786 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HD2' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -136.16 18.59 3.19 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.788 -1.165 . . . . 0.0 111.684 -178.37 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.742 ' HG3' ' HA ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -135.95 156.36 48.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 163.67 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.2 mt -91.12 124.8 43.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 118.776 -1.17 . . . . 0.0 109.032 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.4 p -105.53 157.01 17.68 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.111 -1.035 . . . . 0.0 108.972 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -164.9 -177.01 4.46 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.238 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.2 t -142.64 121.76 12.94 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.76 -1.176 . . . . 0.0 109.639 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -92.86 -173.27 3.26 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -149.15 122.09 8.78 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.417 -1.313 . . . . 0.0 110.083 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.1 29.32 3.73 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.126 176.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.5 -85.94 0.06 OUTLIER Glycine 0 CA--C 1.521 0.418 0 C-N-CA 118.787 -1.673 . . . . 0.0 110.257 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.09 -66.45 0.06 OUTLIER Glycine 0 CA--C 1.52 0.368 0 C-N-CA 118.788 -1.673 . . . . 0.0 109.863 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.61 -14.94 64.6 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 118.922 -1.609 . . . . 0.0 109.472 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 40' ' ' THR . 41.3 ttmt -150.78 103.02 3.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 28.5 m 63.26 74.7 0.42 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 123.432 2.833 . . . . 0.0 111.817 4.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.49 -172.17 38.05 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 119.04 -1.552 . . . . 0.0 110.037 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.09 93.15 2.8 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.022 -1.071 . . . . 0.0 109.137 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.57 -173.39 36.69 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 118.895 -1.621 . . . . 0.0 109.842 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -159.18 169.47 24.08 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.733 -1.187 . . . . 0.0 109.123 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 p -162.05 136.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 118.729 -1.188 . . . . 0.0 108.493 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.742 ' HA ' ' HG3' ' A' ' 28' ' ' MET . 47.0 t -67.58 152.38 45.73 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.504 -178.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.15 10.63 37.09 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.093 -1.043 . . . . 0.0 110.005 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -81.33 -27.47 34.94 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.384 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -134.71 35.0 3.15 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.324 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.88 154.32 64.39 Favored Pre-proline 0 C--N 1.321 -0.65 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.454 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.31 143.09 35.09 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 121.45 1.433 . . . . 0.0 111.694 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.76 -26.94 50.17 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.778 -1.169 . . . . 0.0 110.427 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -76.32 -14.57 60.1 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 118.739 -1.184 . . . . 0.0 110.778 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 54' ' ' LEU . 4.8 tt -83.64 -33.86 25.17 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.499 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.61 -34.05 58.38 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 118.68 -1.208 . . . . 0.0 110.447 -174.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -84.05 -10.44 57.85 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 118.598 -1.241 . . . . 0.0 110.224 -177.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.5 tpp -84.53 -22.42 30.16 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.744 -1.182 . . . . 0.0 109.373 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.8 mt -120.93 37.54 4.29 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.801 -1.159 . . . . 0.0 109.785 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -166.48 74.42 0.17 Allowed 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 118.44 -1.304 . . . . 0.0 109.093 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.66 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 64.3 pttt -63.38 105.08 0.69 Allowed 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 118.428 -1.309 . . . . 0.0 107.723 174.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -112.83 92.98 4.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.596 -168.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.151 0 C-N-CA 118.568 -1.253 . . . . 0.0 108.109 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 121.601 0.715 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.1 p -127.21 152.01 47.95 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 119.183 -1.007 . . . . 0.0 108.856 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.8 t -106.94 127.97 62.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 119.121 -1.032 . . . . 0.0 108.526 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -93.5 157.48 16.18 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.286 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -163.04 80.54 0.47 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.929 -1.108 . . . . 0.0 108.637 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 20.2 ptpt -73.77 132.92 43.12 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 118.755 -1.178 . . . . 0.0 109.702 -177.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -77.27 -88.34 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.169 177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -106.63 -73.98 0.67 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 119.154 -1.018 . . . . 0.0 108.34 173.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.47 20.37 7.42 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.033 -1.556 . . . . 0.0 109.906 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 mp0 -120.46 130.67 54.41 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.114 -1.035 . . . . 0.0 108.476 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -81.87 156.08 25.01 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 118.783 -1.167 . . . . 0.0 109.088 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -153.06 121.78 6.43 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.866 -1.134 . . . . 0.0 108.639 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -107.68 167.66 9.8 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.934 -1.106 . . . . 0.0 109.523 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.6 p -160.74 132.47 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 C-N-CA 118.968 -1.093 . . . . 0.0 108.603 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -73.41 145.91 45.47 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 118.623 -1.231 . . . . 0.0 108.755 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.0 mt -73.21 -32.49 38.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 118.92 -1.112 . . . . 0.0 110.228 -174.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -84.65 -6.44 59.36 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.716 -1.194 . . . . 0.0 110.558 -175.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.9 ttpt -89.66 -15.31 32.93 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.019 -1.072 . . . . 0.0 109.369 -178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.2 mt -68.14 106.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 118.958 -1.097 . . . . 0.0 108.866 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.626 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 61.9 mttp -102.14 147.42 26.64 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.105 -1.038 . . . . 0.0 109.177 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.626 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 76.0 mmtt 69.99 92.24 0.09 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.707 -1.197 . . . . 0.0 109.084 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.4 m -124.61 141.61 44.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 119.007 -1.077 . . . . 0.0 109.012 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 41.8 p90 -155.37 132.09 10.57 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.898 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -107.85 121.6 45.09 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.908 -1.117 . . . . 0.0 109.55 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 m -136.98 141.92 39.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 119.255 -0.978 . . . . 0.0 108.488 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' A' ' 27' ' ' LYS . . . 81.21 -87.4 1.37 Allowed Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.767 -1.682 . . . . 0.0 110.275 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 26' ' ' GLY . 55.8 mtmt -155.96 -63.58 0.11 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.257 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.474 ' SD ' ' N ' ' A' ' 28' ' ' MET . 2.1 mpt? -67.77 159.76 29.57 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.802 -1.159 . . . . 0.0 108.762 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -103.61 117.96 49.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 118.998 -1.081 . . . . 0.0 108.511 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.2 m -94.92 156.37 16.37 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.01 -1.076 . . . . 0.0 108.705 176.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -165.47 174.55 9.87 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.515 -1.274 . . . . 0.0 109.864 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.1 p -124.67 151.34 45.07 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -142.29 143.18 32.69 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 118.849 -1.14 . . . . 0.0 109.537 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -86.08 145.62 26.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.042 -1.063 . . . . 0.0 108.496 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.75 ' H ' ' CA ' ' A' ' 36' ' ' GLY . 13.1 pt-20 -137.3 -22.35 1.15 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 115.702 1.742 . . . . 0.0 115.702 -177.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.75 ' CA ' ' H ' ' A' ' 35' ' ' GLU . . . -174.71 -107.45 0.21 Allowed Glycine 0 N--CA 1.462 0.423 0 CA-C-N 123.596 2.907 . . . . 0.0 108.586 -0.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.88 -71.85 2.36 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 118.921 -1.609 . . . . 0.0 110.522 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.12 51.43 0.34 Allowed Glycine 0 C--N 1.319 -0.405 0 C-N-CA 118.826 -1.654 . . . . 0.0 109.916 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -134.23 -38.78 0.85 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.121 -1.032 . . . . 0.0 108.686 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.9 m 55.2 86.14 0.06 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.655 -0.818 . . . . 0.0 110.134 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.95 172.3 37.16 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 118.724 -1.703 . . . . 0.0 110.211 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -155.27 144.49 20.97 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.878 -1.129 . . . . 0.0 108.986 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.52 -155.82 8.6 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 118.672 -1.728 . . . . 0.0 109.867 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.55 167.75 20.95 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 118.694 -1.203 . . . . 0.0 109.42 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 p -157.44 132.22 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 C-N-CA 118.814 -1.154 . . . . 0.0 108.378 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.6 m -71.5 152.63 42.85 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 118.644 -1.222 . . . . 0.0 109.286 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.37 -12.79 59.91 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 118.993 -1.083 . . . . 0.0 110.556 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -70.13 -32.28 70.21 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.703 -1.199 . . . . 0.0 109.768 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -124.12 56.85 1.24 Allowed 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.242 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -118.97 153.69 52.83 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 119.052 -1.059 . . . . 0.0 108.531 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.37 147.82 27.83 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.517 1.478 . . . . 0.0 111.665 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -78.48 -26.23 45.97 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 118.751 -1.18 . . . . 0.0 110.355 -174.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -74.77 -20.07 59.95 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.729 -1.188 . . . . 0.0 110.169 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.474 ' O ' HD23 ' A' ' 54' ' ' LEU . 4.2 tt -77.02 -31.57 56.43 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.797 -1.161 . . . . 0.0 108.058 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.07 -31.79 68.29 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.836 -1.146 . . . . 0.0 109.651 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -77.61 -21.26 52.59 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.746 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.9 ttt -72.95 -29.68 63.28 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.672 -1.211 . . . . 0.0 108.861 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.989 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . 94.8 mt -132.39 84.01 2.12 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 175.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.989 ' HB3' ' HA ' ' A' ' 58' ' ' LEU . 12.5 pt-20 178.34 -171.9 0.12 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 120.75 -1.219 . . . . 0.0 109.12 1.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -129.1 154.88 46.26 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.093 -1.043 . . . . 0.0 108.577 175.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -132.45 173.33 11.41 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 118.98 -1.088 . . . . 0.0 108.849 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 C-N-CA 118.706 -1.198 . . . . 0.0 109.494 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 121.762 0.791 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t -159.56 159.05 32.84 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.34 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.0 t -126.78 128.81 71.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.394 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 4' ' ' LYS . 58.7 pttt -121.15 113.9 20.67 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.621 177.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -99.77 129.2 45.86 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.015 -1.074 . . . . 0.0 108.881 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.503 ' H ' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -97.39 132.64 42.92 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 118.787 -1.165 . . . . 0.0 109.579 -179.449 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -167.16 97.7 0.51 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.904 -1.118 . . . . 0.0 108.607 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.948 ' HB2' ' CA ' ' A' ' 9' ' ' GLY . 75.9 mmtt -68.82 -66.2 0.6 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 119.539 -1.975 . . . . 0.0 110.691 0.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.948 ' CA ' ' HB2' ' A' ' 8' ' ' LYS . . . 150.51 -61.09 0.42 Allowed Glycine 0 N--CA 1.463 0.467 0 N-CA-C 107.418 -2.273 . . . . 0.0 107.418 -8.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -137.45 138.1 39.43 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 173.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -69.41 134.78 49.42 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.62 -1.232 . . . . 0.0 109.301 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 tt -142.48 91.48 2.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 4' ' ' LYS . 26.3 tt0 -99.92 130.85 46.14 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.826 -176.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.4 t -123.94 138.68 52.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.15 159.04 27.11 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.12 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.6 pt -90.01 -3.07 10.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 119.17 -1.012 . . . . 0.0 110.79 -175.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.0 p -88.15 -10.01 51.32 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 118.541 -1.264 . . . . 0.0 110.441 -175.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -93.4 -1.44 55.82 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.665 -1.214 . . . . 0.0 109.886 -178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.4 mt -78.43 129.58 37.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 118.556 -1.258 . . . . 0.0 107.732 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.713 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 25.3 pttm -147.53 -0.93 0.63 Allowed 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 118.538 -1.265 . . . . 0.0 110.056 -177.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.909 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 2.8 mmmp? -132.11 100.42 5.04 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.828 -1.149 . . . . 0.0 109.071 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.48 144.15 37.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 119.246 -0.982 . . . . 0.0 108.931 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -149.73 138.7 21.1 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.954 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -93.96 118.42 31.46 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.885 -171.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.0 p -163.21 130.44 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 118.999 -1.08 . . . . 0.0 108.484 173.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.11 -168.64 32.68 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 118.76 -1.686 . . . . 0.0 110.328 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.701 ' HG3' ' HG3' ' A' ' 28' ' ' MET . 21.9 ptmt -86.67 -13.34 45.79 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 118.996 -1.082 . . . . 0.0 110.639 -177.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.701 ' HG3' ' HG3' ' A' ' 27' ' ' LYS . 63.1 mtt -122.4 161.65 23.08 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 118.758 -1.177 . . . . 0.0 109.395 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mm -101.44 131.5 49.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 119.079 -1.049 . . . . 0.0 108.992 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -101.41 164.73 11.62 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.988 -1.085 . . . . 0.0 108.99 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -164.74 166.56 19.79 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.662 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.909 ' OG1' ' HB2' ' A' ' 21' ' ' LYS . 73.9 p -124.81 86.44 2.56 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.177 -178.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -69.94 144.84 52.28 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 118.44 -1.304 . . . . 0.0 108.07 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -91.06 118.93 30.8 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.486 -1.286 . . . . 0.0 110.504 -174.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -164.87 77.13 0.31 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.467 ' HA3' ' HD2' ' A' ' 39' ' ' LYS . . . -179.75 -46.43 0.08 OUTLIER Glycine 0 CA--C 1.52 0.354 0 C-N-CA 118.594 -1.765 . . . . 0.0 110.425 -177.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.55 38.6 57.51 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 118.641 -1.742 . . . . 0.0 109.477 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.7 -15.13 0.71 Allowed Glycine 0 CA--C 1.52 0.345 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HD2' ' HA3' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -157.71 71.64 0.63 Allowed 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.019 -1.073 . . . . 0.0 109.026 179.063 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.4 p -59.83 161.28 6.58 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.782 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.09 167.51 23.94 Favored Glycine 0 C--N 1.32 -0.327 0 C-N-CA 118.891 -1.623 . . . . 0.0 110.201 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -131.22 141.48 50.04 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.143 -1.023 . . . . 0.0 108.946 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.39 177.99 21.24 Favored Glycine 0 N--CA 1.461 0.355 0 C-N-CA 118.92 -1.609 . . . . 0.0 109.771 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -160.03 143.17 13.84 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.187 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.3 p -161.5 136.24 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 118.772 -1.171 . . . . 0.0 108.226 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.6 t -67.04 157.07 34.42 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 118.693 -1.203 . . . . 0.0 109.643 -177.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -91.81 12.14 22.44 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.152 -1.019 . . . . 0.0 110.083 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -75.21 -26.6 59.09 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.649 -1.22 . . . . 0.0 109.478 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -134.89 71.33 1.44 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.031 -1.067 . . . . 0.0 108.874 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -136.7 153.96 76.17 Favored Pre-proline 0 C--N 1.321 -0.639 0 C-N-CA 119.026 -1.07 . . . . 0.0 108.254 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -56.76 156.28 23.76 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.306 1.337 . . . . 0.0 111.985 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -26.64 60.04 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.119 -1.032 . . . . 0.0 110.211 -175.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.42 -34.54 78.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.153 -1.019 . . . . 0.0 111.423 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.46 -34.71 65.51 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.264 -1.375 . . . . 0.0 108.968 -177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.53 -32.97 54.37 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.733 -175.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -80.8 -18.39 47.7 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 118.769 -1.172 . . . . 0.0 109.76 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.4 tpp -80.19 -30.9 38.78 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.705 -1.198 . . . . 0.0 110.071 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 81.9 mt -106.86 -29.34 9.55 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.605 -1.238 . . . . 0.0 110.894 -173.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -93.09 71.35 4.59 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.691 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -92.18 137.12 32.63 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.757 -1.177 . . . . 0.0 108.551 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -122.03 -136.35 0.31 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 118.924 -1.11 . . . . 0.0 108.695 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 C-N-CA 118.723 -1.191 . . . . 0.0 109.673 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 121.755 0.788 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.0 t -162.52 164.63 26.83 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 118.691 -1.204 . . . . 0.0 109.103 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.3 t -122.85 102.08 10.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 119.074 -1.05 . . . . 0.0 108.755 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.71 168.94 6.98 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 118.773 -1.171 . . . . 0.0 109.179 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -159.76 80.73 0.72 Allowed 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 118.667 -1.213 . . . . 0.0 109.48 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 14.8 ptmm? -76.83 158.28 30.93 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 118.728 -1.189 . . . . 0.0 108.911 178.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -101.8 -96.7 0.28 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.875 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' H ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -107.27 -34.2 7.18 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 118.404 -1.318 . . . . 0.0 109.592 176.587 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.73 31.86 0.75 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 118.82 -1.657 . . . . 0.0 109.961 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 45.2 mt-10 -128.9 -176.13 3.76 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.109 -1.036 . . . . 0.0 108.826 -179.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -141.94 131.05 23.28 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.994 -1.083 . . . . 0.0 108.766 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.19 167.27 18.67 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.05 -1.06 . . . . 0.0 108.368 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -152.76 131.65 12.49 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.808 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -139.57 132.7 36.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 118.885 -1.126 . . . . 0.0 108.97 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.11 159.45 18.9 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 118.917 -1.113 . . . . 0.0 108.253 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.24 -29.05 41.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.241 -177.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.5 p -80.76 -4.43 54.51 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.833 -1.147 . . . . 0.0 110.81 -177.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -98.81 12.77 34.66 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.448 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mt -120.17 137.01 55.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.31 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -124.69 -44.09 1.98 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.878 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.515 ' HA ' ' HB ' ' A' ' 22' ' ' VAL . 31.6 tttt -137.49 116.59 12.52 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 -178.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.515 ' HB ' ' HA ' ' A' ' 21' ' ' LYS 0.259 58.2 t 68.38 82.44 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 124.283 3.219 . . . . 0.0 112.336 3.119 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.4 p90 -164.27 131.12 3.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 113.627 -1.624 . . . . 0.0 106.872 168.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.532 ' HG3' ' HA ' ' A' ' 29' ' ' ILE . 4.1 mmp_? -148.14 176.14 10.46 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.522 -1.271 . . . . 0.0 110.75 -177.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -163.58 24.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.43 -113.82 0.36 Allowed Glycine 0 CA--C 1.519 0.329 0 C-N-CA 118.578 -1.773 . . . . 0.0 111.514 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 1.026 ' HG2' ' HG3' ' A' ' 28' ' ' MET . 24.2 ttmm -95.12 147.54 23.33 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.832 -1.147 . . . . 0.0 111.083 -170.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 1.026 ' HG3' ' HG2' ' A' ' 27' ' ' LYS . 84.1 mtp 62.22 -177.35 0.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.784 172.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.532 ' HA ' ' HG3' ' A' ' 24' ' ' ARG . 4.2 mp -128.08 121.01 55.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.408 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.0 m -93.68 142.11 27.72 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 118.703 -1.199 . . . . 0.0 108.3 175.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.468 ' HA ' ' H ' ' A' ' 22' ' ' VAL . 55.1 p90 -158.04 148.84 20.79 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.355 -1.338 . . . . 0.0 110.095 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.801 HG22 ' HG3' ' A' ' 42' ' ' ARG . 70.5 p -126.6 95.9 4.5 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.164 -1.014 . . . . 0.0 109.21 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -73.33 170.38 15.16 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 118.74 -1.184 . . . . 0.0 108.631 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -137.03 122.77 19.9 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.717 -1.193 . . . . 0.0 109.591 -178.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -159.76 77.52 0.68 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 118.626 -1.23 . . . . 0.0 109.816 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -178.05 123.27 0.86 Allowed Glycine 0 N--CA 1.463 0.481 0 O-C-N 120.083 -1.636 . . . . 0.0 109.725 0.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.22 67.46 0.9 Allowed Glycine 0 CA--C 1.52 0.361 0 C-N-CA 118.985 -1.579 . . . . 0.0 110.33 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.3 -20.06 33.4 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 119.033 -1.556 . . . . 0.0 110.594 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -82.03 -81.64 0.14 Allowed 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.589 -1.244 . . . . 0.0 109.221 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 m 57.1 91.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.804 0.812 . . . . 0.0 110.482 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.49 139.07 14.75 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 118.847 -1.644 . . . . 0.0 110.169 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.801 ' HG3' HG22 ' A' ' 32' ' ' THR . 0.5 OUTLIER -90.22 150.38 22.0 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.033 -1.067 . . . . 0.0 108.392 179.347 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.46 172.72 36.92 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 118.793 -1.67 . . . . 0.0 110.019 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.22 164.57 27.65 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 118.73 -1.188 . . . . 0.0 109.212 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.4 p -162.93 135.05 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 118.8 -1.16 . . . . 0.0 108.364 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -71.96 160.3 32.76 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 118.646 -1.222 . . . . 0.0 109.634 -177.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.07 24.58 5.47 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.173 -1.011 . . . . 0.0 110.776 -177.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -93.85 -4.04 50.79 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.578 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -163.77 53.82 0.16 Allowed 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 118.835 -1.146 . . . . 0.0 108.481 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.75 152.17 40.74 Favored Pre-proline 0 C--N 1.322 -0.605 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.002 -178.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.54 151.87 22.92 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.458 1.438 . . . . 0.0 111.602 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -81.73 -13.53 57.69 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 118.844 -1.142 . . . . 0.0 109.78 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.23 -33.0 74.95 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.577 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 mp -74.56 -34.23 62.88 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 118.512 -1.275 . . . . 0.0 108.958 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.7 mt -77.56 -30.04 52.46 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 118.486 -1.286 . . . . 0.0 109.84 -176.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -83.83 -17.35 41.28 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 118.639 -1.225 . . . . 0.0 109.845 -177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 tpt -97.02 -25.04 15.51 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 118.689 -1.204 . . . . 0.0 110.606 -174.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.5 mt -126.1 21.76 7.38 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 118.328 -1.349 . . . . 0.0 111.244 -173.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 60' ' ' LYS . 78.5 mm-40 -131.55 -32.17 1.53 Allowed 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 118.65 -1.22 . . . . 0.0 108.527 174.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 59' ' ' GLU . 75.8 mmtt 65.58 95.04 0.06 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 118.884 -1.126 . . . . 0.0 109.355 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -102.17 -114.51 0.2 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 118.95 -1.1 . . . . 0.0 108.682 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm . . . . . 0 C--O 1.249 1.07 0 C-N-CA 118.77 -1.172 . . . . 0.0 109.079 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 121.654 0.74 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.0 p -129.97 134.23 47.31 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.587 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t -81.92 121.75 35.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 118.713 -1.195 . . . . 0.0 108.299 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -106.51 81.55 1.61 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.255 -178.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -84.38 134.11 34.49 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 118.899 -1.12 . . . . 0.0 108.954 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 175.75 7.63 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.442 -178.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -137.04 -80.01 0.39 Allowed 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.464 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -110.92 -76.13 0.61 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 118.924 -1.11 . . . . 0.0 109.489 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.97 37.03 2.06 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 119.059 -1.543 . . . . 0.0 109.971 -179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -147.29 109.56 4.54 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.81 -1.156 . . . . 0.0 109.08 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.22 149.46 23.84 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.056 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -133.99 148.29 51.1 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.413 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -116.27 156.92 25.77 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.125 -1.03 . . . . 0.0 109.31 -178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -159.69 133.16 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 118.749 -1.181 . . . . 0.0 108.799 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.845 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 7.5 m-20 -87.74 154.63 20.41 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.958 -1.097 . . . . 0.0 109.21 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.61 -42.15 94.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 119.451 -0.9 . . . . 0.0 109.479 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -88.8 4.89 46.06 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 118.777 -1.169 . . . . 0.0 110.465 -175.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.845 ' HB2' ' HB2' ' A' ' 15' ' ' ASP . 6.2 tmtt? -91.34 -19.32 23.06 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.002 -1.079 . . . . 0.0 108.538 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.6 mt -69.48 128.51 33.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 C-N-CA 118.884 -1.126 . . . . 0.0 108.707 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.733 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 59.2 mtpt -123.6 137.7 54.69 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 118.884 -1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.733 ' HB2' ' O ' ' A' ' 20' ' ' LYS . 28.6 mtpp 76.21 132.8 0.05 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.24 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -162.52 137.6 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 118.686 -1.206 . . . . 0.0 108.734 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 46.2 p90 -144.76 130.58 19.17 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.824 -1.15 . . . . 0.0 108.989 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -95.63 127.21 41.47 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.024 -1.071 . . . . 0.0 110.135 -175.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.6 p -164.3 130.55 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 119.083 -1.047 . . . . 0.0 108.49 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.9 -154.48 29.3 Favored Glycine 0 C--N 1.319 -0.373 0 C-N-CA 118.746 -1.692 . . . . 0.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -83.15 -77.24 0.25 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.908 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 28' ' ' MET . 2.1 mpt? -69.68 141.82 53.5 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.923 -1.111 . . . . 0.0 109.201 -175.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.3 mm -87.71 131.43 35.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 118.947 -1.101 . . . . 0.0 108.849 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 m -97.05 164.55 12.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.711 -178.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -166.68 173.3 9.77 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.095 -1.042 . . . . 0.0 108.625 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.3 p -127.75 95.07 4.11 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.869 -1.132 . . . . 0.0 109.407 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -78.32 131.79 37.17 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.236 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -92.25 124.09 36.07 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 118.772 -1.171 . . . . 0.0 110.796 -173.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -137.71 -59.07 0.67 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 122.107 0.956 . . . . 0.0 108.55 175.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.13 -42.74 94.27 Favored Glycine 0 C--N 1.317 -0.507 0 C-N-CA 119.195 -1.479 . . . . 0.0 110.609 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.89 -68.49 2.0 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 118.862 -1.637 . . . . 0.0 109.02 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.73 -25.97 43.98 Favored Glycine 0 C--N 1.32 -0.36 0 N-CA-C 108.867 -1.693 . . . . 0.0 108.867 174.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -117.57 64.31 0.74 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.296 -0.962 . . . . 0.0 108.551 176.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.6 m -59.68 132.36 53.72 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.677 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.51 137.95 14.19 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 118.809 -1.663 . . . . 0.0 110.324 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -110.14 144.51 38.67 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.01 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.73 -171.96 20.06 Favored Glycine 0 CA--C 1.521 0.44 0 C-N-CA 118.813 -1.66 . . . . 0.0 109.983 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -162.89 159.04 23.29 Favored 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.525 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -161.44 140.83 2.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 C-N-CA 118.859 -1.136 . . . . 0.0 108.356 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -62.9 147.18 51.05 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 118.856 -1.137 . . . . 0.0 109.503 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -97.72 9.05 43.57 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 119.111 -1.036 . . . . 0.0 110.073 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -80.78 -26.27 37.34 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.656 -1.218 . . . . 0.0 109.64 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -128.54 30.7 5.11 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 118.937 -1.105 . . . . 0.0 109.56 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.43 157.55 58.55 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 118.821 -1.151 . . . . 0.0 108.32 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -49.79 155.13 4.22 Favored 'Trans proline' 0 C--N 1.329 -0.478 0 C-N-CA 121.52 1.48 . . . . 0.0 112.182 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -79.22 -16.97 55.7 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 118.862 -1.135 . . . . 0.0 110.675 -174.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.92 -32.17 72.45 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 118.891 -1.123 . . . . 0.0 109.998 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.5 mt -75.51 -28.71 59.25 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 118.666 -1.214 . . . . 0.0 109.609 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.24 -35.46 68.84 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 118.594 -1.242 . . . . 0.0 109.301 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -85.15 -14.16 47.87 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 118.8 -1.16 . . . . 0.0 109.853 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.5 tpp -83.75 -17.75 40.13 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 118.778 -1.169 . . . . 0.0 108.137 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.984 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 82.9 mt -131.77 89.66 2.73 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.984 ' CG ' ' HA ' ' A' ' 58' ' ' LEU . 46.6 mt-10 -158.97 158.64 33.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 120.123 -1.611 . . . . 0.0 107.784 -0.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -113.36 123.06 49.22 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 172.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -125.39 85.28 2.38 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 119.115 -1.034 . . . . 0.0 108.936 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? . . . . . 0 C--O 1.249 1.078 0 C-N-CA 118.659 -1.216 . . . . 0.0 108.238 -179.937 . . . . . . . . 0 0 . 1 stop_ save_