data_2kjr_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 2kjr _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 ' 14' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 50.7 p-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.483 0.658 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -136.55 151.09 49.02 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.4 pt -125.97 149.63 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -99.84 118.77 37.0 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.427 -0.795 . . . . 0.0 109.374 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.4 m -139.2 164.13 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.557 -0.714 . . . . 0.0 109.455 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -101.07 139.76 36.31 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.0 131.38 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.3 t -134.99 148.5 49.99 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -111.99 147.05 36.76 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.533 0.683 . . . . 0.0 109.877 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 t -79.87 -74.91 0.28 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.515 -0.74 . . . . 0.0 110.301 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -77.96 53.62 1.19 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.352 -0.842 . . . . 0.0 110.644 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 61.7 t-20 -172.16 140.22 1.15 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.197 -0.939 . . . . 0.0 109.51 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.513 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 35.5 p-10 -85.8 1.1 51.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.338 -0.851 . . . . 0.0 109.583 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.78 122.18 25.72 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.329 -0.857 . . . . 0.0 109.503 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -131.65 133.88 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.559 -0.713 . . . . 0.0 109.22 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.52 126.42 52.9 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -110.77 146.22 36.73 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.542 -0.724 . . . . 0.0 110.269 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 53.82 57.76 5.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.716 -0.615 . . . . 0.0 109.895 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.8 p -102.06 123.25 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.31 -0.869 . . . . 0.0 108.897 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -94.14 136.74 34.1 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.246 -0.909 . . . . 0.0 109.546 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.7 mt -134.67 141.41 46.55 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.443 -0.786 . . . . 0.0 109.373 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.77 141.7 55.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.496 -0.752 . . . . 0.0 109.512 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -75.53 -16.26 60.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.422 -0.799 . . . . 0.0 109.854 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -80.81 -0.79 40.35 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.474 -0.766 . . . . 0.0 109.567 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -76.75 142.29 40.47 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.213 -0.929 . . . . 0.0 109.841 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.1 p -87.48 167.47 13.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.543 -0.723 . . . . 0.0 109.809 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.569 ' CG1' ' NZ ' ' A' ' 44' ' ' LYS . 53.5 t -63.78 -44.44 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.525 -0.734 . . . . 0.0 109.297 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.21 87.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -0.923 . . . . 0.0 108.849 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.441 ' O ' ' OG1' ' A' ' 45' ' ' THR . 95.9 mm-40 -65.15 -39.46 93.01 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.213 -0.93 . . . . 0.0 108.768 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.28 -43.38 98.09 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.156 -0.965 . . . . 0.0 109.223 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.569 ' NZ ' ' CG1' ' A' ' 40' ' ' VAL . 59.0 mttp -62.52 -40.72 97.66 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.289 -0.882 . . . . 0.0 109.717 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 19.2 p -63.24 -44.58 94.81 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.12 -0.987 . . . . 0.0 109.444 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.84 -46.09 86.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.227 -0.921 . . . . 0.0 109.371 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.0 -38.27 85.68 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 0.0 109.524 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 52' ' ' GLY . 83.3 tt0 -52.27 -47.9 65.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.895 . . . . 0.0 109.099 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.63 -43.63 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.0 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.1 -41.76 99.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.532 -0.73 . . . . 0.0 110.242 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.512 ' HG1' ' H ' ' A' ' 53' ' ' GLY . 43.2 p -92.76 -16.95 24.79 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.949 -1.094 . . . . 0.0 109.764 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.66 5.12 36.05 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.512 ' H ' ' HG1' ' A' ' 51' ' ' THR . . . -78.04 -170.42 35.95 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 37.3 m -100.31 119.36 38.29 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.491 -1.005 . . . . 0.0 109.535 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.64 67.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.378 -0.826 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.59 -13.67 83.24 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.8 p -123.51 -3.83 8.31 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.441 -1.035 . . . . 0.0 109.103 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.8 ttp -89.57 128.28 36.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.395 -0.816 . . . . 0.0 109.905 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -114.57 148.64 37.73 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.6 t -118.35 132.01 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -130.83 145.5 52.0 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.4 t -93.79 131.0 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.537 -0.727 . . . . 0.0 109.448 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -126.59 137.66 53.36 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.573 0.701 . . . . 0.0 109.896 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -138.36 80.76 1.81 Allowed 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.99 -130.72 10.42 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 34.8 p-10 -98.69 6.87 46.69 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.364 -1.08 . . . . 0.0 110.038 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.9 m -126.31 132.77 51.56 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.487 -0.758 . . . . 0.0 109.84 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -80.43 130.69 35.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.396 -0.815 . . . . 0.0 109.686 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.1 t -72.57 -53.15 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.154 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.2 t -174.28 166.75 4.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.394 -0.816 . . . . 0.0 109.596 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.3 m -115.99 128.44 55.74 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.2 90.01 0.09 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.848 . . . . 0.0 109.997 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 40.1 p-10 -95.79 -29.77 14.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.442 -0.787 . . . . 0.0 109.816 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.518 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 13.7 t-20 -89.67 108.45 19.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.259 -0.9 . . . . 0.0 109.831 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.53 ' C ' ' H ' ' A' ' 77' ' ' ALA . 99.0 m-20 -63.86 -38.57 91.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.471 -0.768 . . . . 0.0 109.797 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.22 18.28 0.05 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.412 -0.805 . . . . 0.0 110.131 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.53 ' H ' ' C ' ' A' ' 75' ' ' ASN . . . -99.49 149.65 23.0 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.271 -0.893 . . . . 0.0 109.847 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -86.44 159.52 19.31 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.441 -0.787 . . . . 0.0 110.325 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.82 -42.56 99.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.512 -0.742 . . . . 0.0 109.901 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.59 -6.47 62.63 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -63.01 -45.68 91.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.325 -1.103 . . . . 0.0 109.221 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -104.69 -27.62 11.7 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.519 -0.738 . . . . 0.0 109.514 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.21 63.94 0.91 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.388 -0.82 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -90.7 7.32 40.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.383 -0.823 . . . . 0.0 109.344 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.7 t -137.74 145.04 41.99 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.478 -0.764 . . . . 0.0 109.446 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -84.42 170.88 13.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.504 -0.748 . . . . 0.0 110.299 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.96 3.49 90.45 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -78.22 155.69 30.19 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.382 -1.069 . . . . 0.0 109.765 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -119.07 126.24 51.21 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -106.56 131.21 53.99 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -114.25 123.97 50.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.674 -0.641 . . . . 0.0 109.329 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.7 t -92.2 126.48 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 87.5 t -107.96 110.69 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.66 -0.65 . . . . 0.0 109.371 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -98.37 110.96 23.46 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.497 -0.752 . . . . 0.0 109.721 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.675 179.783 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 N--CA 1.499 2.02 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -110.89 145.38 38.38 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.518 -0.739 . . . . 0.0 109.237 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.3 pt -129.47 143.8 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.582 -0.699 . . . . 0.0 109.26 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -96.26 131.72 42.46 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.6 m -146.54 166.73 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 109.193 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -97.83 143.16 28.73 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.262 -0.898 . . . . 0.0 109.2 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.5 t -124.88 135.45 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.2 p -132.38 156.39 46.74 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.475 -0.765 . . . . 0.0 109.312 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -147.83 137.22 22.37 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.249 -0.907 . . . . 0.0 109.118 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.501 ' HG ' ' H ' ' A' ' 94' ' ' ASP . 89.0 p -75.94 163.13 27.49 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.453 -0.779 . . . . 0.0 111.013 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 28.4 m170 39.95 49.6 2.29 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 121.435 0.636 . . . . 0.0 110.314 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.537 ' C ' ' H ' ' A' ' 27' ' ' ALA . 11.5 m120 -151.93 -29.32 0.17 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.9 t0 60.24 -1.37 0.2 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.661 -0.649 . . . . 0.0 109.499 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.537 ' H ' ' C ' ' A' ' 25' ' ' ASN . . . -87.88 111.1 21.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 0.0 109.283 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.2 t -124.98 130.4 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.67 145.76 29.21 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.44 -0.787 . . . . 0.0 109.176 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' GLU . 76.5 m-85 -109.55 138.66 45.59 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.65 -0.656 . . . . 0.0 110.15 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' PHE . 78.5 mm-40 37.03 77.56 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.213 0.53 . . . . 0.0 111.196 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 32' ' ' VAL . 3.3 m -97.94 122.99 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.05 -1.031 . . . . 0.0 109.195 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 18.3 ptmt -81.88 123.55 28.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.052 -1.03 . . . . 0.0 109.825 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -140.41 144.59 36.25 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.213 -0.93 . . . . 0.0 109.391 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.02 131.68 44.73 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 121.793 0.806 . . . . 0.0 109.819 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -75.39 -12.41 60.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.633 -0.667 . . . . 0.0 109.835 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -82.56 0.28 43.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.117 -0.989 . . . . 0.0 109.607 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -77.16 151.21 35.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.269 -0.894 . . . . 0.0 110.022 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.9 p -85.29 164.02 18.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.485 -0.759 . . . . 0.0 110.067 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.93 -43.63 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.639 -0.663 . . . . 0.0 109.39 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.64 85.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.382 -0.824 . . . . 0.0 109.493 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.64 -43.13 94.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.066 -1.021 . . . . 0.0 109.463 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.57 -41.33 98.4 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.383 -0.823 . . . . 0.0 109.786 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -59.85 -41.59 91.76 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.182 -0.949 . . . . 0.0 109.572 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.5 m -60.31 -45.38 93.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.362 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.98 -43.58 98.39 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.075 -1.015 . . . . 0.0 109.207 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.84 -39.47 94.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.276 -0.89 . . . . 0.0 109.082 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.6 tt0 -55.16 -41.6 72.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.358 -0.839 . . . . 0.0 108.911 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.9 -42.93 97.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.371 -0.831 . . . . 0.0 109.422 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.58 -42.08 98.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.414 -0.804 . . . . 0.0 109.951 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.42 ' C ' ' H ' ' A' ' 53' ' ' GLY . 44.2 p -91.26 -15.78 28.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.928 -1.107 . . . . 0.0 109.77 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.29 0.93 8.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -81.23 -165.68 34.82 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 m -98.97 132.77 44.04 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.472 -1.017 . . . . 0.0 109.86 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.35 83.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.541 -0.724 . . . . 0.0 110.321 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.06 -6.79 87.6 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 119.984 -1.103 . . . . 0.0 110.58 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.2 m -107.65 -30.99 8.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.175 -1.191 . . . . 0.0 110.068 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.17 144.91 26.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 0.0 109.968 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -110.57 153.27 25.37 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.18 132.37 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.575 -0.703 . . . . 0.0 109.124 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -135.59 149.76 49.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.47 -0.769 . . . . 0.0 109.107 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.8 t -106.35 130.42 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.491 -0.755 . . . . 0.0 109.055 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -128.93 149.75 50.66 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.636 0.732 . . . . 0.0 109.699 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -139.64 91.28 2.47 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.17 -130.18 13.46 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -96.13 11.98 32.36 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.437 -1.037 . . . . 0.0 110.371 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.7 m -118.53 133.4 55.9 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.39 -0.819 . . . . 0.0 110.03 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 m -82.17 119.54 24.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.43 -0.794 . . . . 0.0 109.892 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 70' ' ' SER . 77.3 t -71.19 -50.88 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 0.0 110.161 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.1 m 164.7 -179.28 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.342 -0.848 . . . . 0.0 109.258 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.5 m -120.62 130.35 54.12 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -66.17 93.72 0.22 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.218 -0.926 . . . . 0.0 110.153 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -90.71 -23.7 20.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.443 -0.786 . . . . 0.0 109.724 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -93.85 106.0 17.99 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.311 -0.868 . . . . 0.0 109.811 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 53.2 p-10 -72.64 -15.61 61.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.264 -0.898 . . . . 0.0 109.297 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 95.5 m-20 -90.65 -3.51 57.47 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.362 -0.836 . . . . 0.0 109.202 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.65 155.21 31.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.507 -0.746 . . . . 0.0 110.098 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -83.07 160.64 21.88 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.437 -0.79 . . . . 0.0 110.306 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.6 tp -62.55 -41.5 98.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.499 -0.75 . . . . 0.0 109.261 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.77 -3.14 54.16 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.04 -45.4 93.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.051 -1.264 . . . . 0.0 109.022 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -107.8 -29.23 9.2 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.467 -0.77 . . . . 0.0 109.724 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.5 -106.65 0.08 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.2 -0.937 . . . . 0.0 110.242 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 61.37 32.08 19.13 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.65 -0.656 . . . . 0.0 109.89 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.6 t -158.12 130.6 7.14 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.179 -0.951 . . . . 0.0 109.173 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -77.17 147.64 36.38 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.195 -0.94 . . . . 0.0 110.42 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.43 -5.47 51.98 Favored Glycine 0 N--CA 1.5 2.902 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.7 mt -76.48 158.35 31.36 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.188 -1.184 . . . . 0.0 109.812 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -125.83 130.02 50.56 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -103.73 131.82 50.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.501 -0.749 . . . . 0.0 109.061 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -117.44 124.34 48.57 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.655 -0.653 . . . . 0.0 109.543 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.9 t -106.42 129.27 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.49 113.99 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.472 -0.768 . . . . 0.0 109.28 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.501 ' H ' ' HG ' ' A' ' 23' ' ' SER . 28.5 t0 -98.88 114.17 26.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.312 -0.868 . . . . 0.0 109.833 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.593 179.567 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -104.12 145.42 30.21 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 121.825 0.822 . . . . 0.0 109.574 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.0 pt -135.94 161.58 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.758 0.79 . . . . 0.0 110.087 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -108.11 128.19 54.47 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.691 0.758 . . . . 0.0 109.584 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.48 166.42 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 CA-C-O 121.825 0.821 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -102.13 141.56 34.77 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.706 0.765 . . . . 0.0 109.772 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.8 t -125.16 132.87 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 CA-C-O 121.764 0.792 . . . . 0.0 109.336 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.482 ' HG ' ' HE ' ' A' ' 89' ' ' ARG . 61.7 m -128.99 154.16 46.87 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.62 0.724 . . . . 0.0 109.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 23' ' ' SER . 54.8 t-20 -134.8 142.47 46.69 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.731 0.777 . . . . 0.0 109.742 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.518 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 68.2 m -78.51 -6.41 55.37 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.53 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 74.4 m80 -126.01 153.54 44.23 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.795 0.807 . . . . 0.0 110.533 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 56.55 3.9 0.13 Allowed 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.515 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.524 ' H ' ' C ' ' A' ' 24' ' ' HIS . 93.2 m-20 45.77 29.01 0.63 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.11 119.67 16.62 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.53 0.681 . . . . 0.0 110.008 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.6 t -127.44 132.18 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.476 0.655 . . . . 0.0 109.58 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.21 136.34 53.06 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.547 0.689 . . . . 0.0 109.528 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -114.13 140.74 48.26 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.836 0.827 . . . . 0.0 110.579 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 55.57 47.75 20.17 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.275 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.7 p -77.51 126.9 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-O 121.651 0.739 . . . . 0.0 110.275 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -89.58 115.9 27.33 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.689 0.757 . . . . 0.0 110.195 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.5 mt -135.72 133.64 38.26 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.581 0.705 . . . . 0.0 109.521 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.5 140.02 49.79 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.605 0.717 . . . . 0.0 110.213 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -70.66 -16.95 62.86 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.139 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -80.66 -2.87 48.46 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.691 -0.631 . . . . 0.0 110.057 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.0 mt -75.99 139.89 41.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.539 -0.726 . . . . 0.0 109.845 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.7 p -84.58 166.24 17.33 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.591 0.71 . . . . 0.0 109.882 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.87 -43.79 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.12 95.59 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -65.72 -37.71 87.16 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.0 -40.92 99.23 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.15 -39.87 94.08 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 83.9 m -61.62 -45.57 93.53 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -64.24 -43.39 95.07 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.38 -39.8 92.71 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.1 tt0 -51.18 -47.68 62.12 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.87 -43.64 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-O 121.193 0.52 . . . . 0.0 109.6 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.15 -43.26 95.73 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.979 -0.45 . . . . 0.0 110.485 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.2 p -94.64 -15.86 23.64 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.877 -0.514 . . . . 0.0 109.712 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 64.08 17.7 61.53 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.72 -162.65 36.57 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.502 ' SG ' ' OG1' ' A' ' 57' ' ' THR . 0.8 OUTLIER -105.8 116.48 32.02 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.524 0.678 . . . . 0.0 109.192 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.64 -26.63 68.12 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.058 0.456 . . . . 0.0 109.891 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.91 -39.25 97.81 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.502 ' OG1' ' SG ' ' A' ' 54' ' ' CYS . 53.5 p -105.97 6.27 31.16 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.619 -0.93 . . . . 0.0 109.523 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.6 ttm -74.9 131.06 40.43 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.725 0.774 . . . . 0.0 110.229 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -123.83 140.88 52.55 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 121.673 0.749 . . . . 0.0 109.706 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.98 129.51 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-O 121.637 0.732 . . . . 0.0 109.685 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -130.77 129.17 42.12 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.749 0.785 . . . . 0.0 109.842 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.19 130.11 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 121.592 0.71 . . . . 0.0 109.9 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -127.25 144.69 50.99 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.972 0.891 . . . . 0.0 110.098 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -149.0 92.17 1.94 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.42 -128.77 8.63 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -102.4 10.12 39.26 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.1 m -129.35 135.7 49.07 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.868 0.842 . . . . 0.0 110.469 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 m -82.07 130.29 35.04 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.44 0.638 . . . . 0.0 109.996 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -73.53 -55.07 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.2 t -175.85 165.9 3.04 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.668 0.747 . . . . 0.0 110.451 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.2 m -114.5 128.63 56.43 Favored 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.73 0.776 . . . . 0.0 109.474 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.0 mtt -68.85 92.22 0.49 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.377 0.608 . . . . 0.0 110.426 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.1 t0 -95.04 -24.65 16.8 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 61.3 t-20 -91.04 109.97 21.22 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.598 0.713 . . . . 0.0 110.301 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -72.26 -18.39 61.82 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 89.8 m-20 -92.07 7.44 42.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.767 -0.583 . . . . 0.0 109.442 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.38 153.07 20.7 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.665 0.745 . . . . 0.0 109.783 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -79.8 156.85 27.23 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.622 0.725 . . . . 0.0 110.177 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.73 -41.79 97.99 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.5 -4.52 52.34 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.99 -45.09 94.08 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.971 -0.723 . . . . 0.0 109.142 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -104.94 -26.53 12.14 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.77 67.65 0.9 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.564 -0.71 . . . . 0.0 109.586 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -100.71 53.47 0.86 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.446 ' HG ' ' H ' ' A' ' 86' ' ' ASP . 5.7 t -161.46 -131.77 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.454 0.645 . . . . 0.0 110.625 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.446 ' H ' ' HG ' ' A' ' 85' ' ' SER . 49.7 p-10 -169.01 139.47 2.32 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.753 0.787 . . . . 0.0 110.533 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.76 3.09 61.01 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.8 mt -72.14 153.71 41.49 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.907 -0.761 . . . . 0.0 110.069 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.482 ' HE ' ' HG ' ' A' ' 21' ' ' SER . 71.6 ttt180 -116.16 129.25 56.23 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.724 0.773 . . . . 0.0 109.755 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.65 130.88 54.87 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.679 0.752 . . . . 0.0 109.738 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.518 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 83.8 t60 -104.53 118.48 36.7 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.73 0.776 . . . . 0.0 109.826 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.6 t -97.21 128.25 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-O 121.502 0.668 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.8 t -115.55 125.0 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-O 121.865 0.84 . . . . 0.0 109.762 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.53 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 27.0 p-10 -128.89 107.04 9.31 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.445 0.64 . . . . 0.0 109.6 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 117.863 -1.065 . . . . 0.0 110.03 179.577 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -128.83 146.2 50.99 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.632 -0.667 . . . . 0.0 109.641 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.0 pt -132.39 159.2 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.712 -0.617 . . . . 0.0 109.547 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -105.44 127.14 52.83 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.773 0.797 . . . . 0.0 110.196 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -135.93 162.49 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-O 121.44 0.638 . . . . 0.0 109.303 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -98.97 139.9 33.93 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -125.95 133.51 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 CA-C-O 121.725 0.774 . . . . 0.0 109.638 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.0 p -146.9 162.54 38.48 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.456 ' ND2' ' H ' ' A' ' 24' ' ' HIS . 14.4 t30 -130.8 154.16 48.31 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.933 0.873 . . . . 0.0 110.049 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -67.55 -15.11 63.49 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.304 0.573 . . . . 0.0 109.472 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.456 ' H ' ' ND2' ' A' ' 22' ' ' ASN . 79.6 m80 -131.04 167.06 19.71 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.275 -0.891 . . . . 0.0 109.996 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 58.64 151.25 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.807 0.813 . . . . 0.0 110.561 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.09 6.68 35.17 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.01 106.53 0.72 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.3 -0.875 . . . . 0.0 109.694 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -131.32 133.68 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.511 -0.743 . . . . 0.0 109.383 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.76 135.73 50.21 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLU . 99.0 m-85 -109.0 143.89 37.7 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.655 0.74 . . . . 0.0 110.369 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' PHE . 97.5 mt-10 35.02 66.72 0.29 Allowed 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 121.519 0.676 . . . . 0.0 111.005 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 p -90.54 128.4 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.225 -0.922 . . . . 0.0 109.13 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -81.58 120.21 24.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 110.09 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -132.99 135.46 45.49 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 121.52 0.676 . . . . 0.0 109.543 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.58 139.77 56.91 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.982 0.896 . . . . 0.0 109.957 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -75.49 -11.95 60.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.649 -0.657 . . . . 0.0 109.602 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -85.22 -0.52 54.9 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.111 -0.993 . . . . 0.0 109.565 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.1 mt -74.62 142.23 44.61 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.02 -1.05 . . . . 0.0 109.749 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.529 ' OG1' ' NE2' ' A' ' 42' ' ' GLN . 10.1 p -82.68 164.62 20.59 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 121.828 0.823 . . . . 0.0 110.102 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.51 -43.21 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.608 -0.683 . . . . 0.0 110.009 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.37 92.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.144 -0.972 . . . . 0.0 109.656 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.618 ' NE2' ' N ' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -66.25 -35.61 80.86 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.355 -0.841 . . . . 0.0 109.029 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.9 tp -64.03 -39.27 93.71 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.454 -0.779 . . . . 0.0 109.251 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.61 -41.91 99.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.483 -0.76 . . . . 0.0 109.75 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 73.5 p -60.48 -44.23 96.14 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.225 -0.922 . . . . 0.0 109.835 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.06 -44.3 92.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.156 -0.965 . . . . 0.0 109.476 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.59 -38.29 86.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 0.0 109.177 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.2 tt0 -52.61 -43.55 65.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.39 -0.819 . . . . 0.0 109.083 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.94 -44.01 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.21 -0.931 . . . . 0.0 109.242 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.97 -42.28 97.31 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.456 -0.778 . . . . 0.0 110.702 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.2 p -94.35 -16.4 23.52 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.928 -1.107 . . . . 0.0 109.427 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.94 22.68 74.12 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.7 -142.01 10.38 Favored Glycine 0 N--CA 1.494 2.56 0 O-C-N 121.247 -1.149 . . . . 0.0 110.414 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 m -135.41 114.32 12.05 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.492 -1.004 . . . . 0.0 109.056 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.95 -24.56 2.63 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.569 0.699 . . . . 0.0 110.006 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.35 6.45 72.36 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.3 p -133.85 -49.38 0.82 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.258 -1.143 . . . . 0.0 110.236 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.5 ptp -53.03 144.07 15.99 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.981 0.896 . . . . 0.0 111.044 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -109.5 149.24 29.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.646 -0.659 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.0 t -116.9 128.45 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 CA-C-O 121.532 0.682 . . . . 0.0 109.44 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.78 145.26 42.17 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.477 -0.764 . . . . 0.0 109.455 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.48 132.16 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.512 -0.743 . . . . 0.0 109.566 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -125.63 147.35 49.35 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.874 0.845 . . . . 0.0 110.177 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -143.07 80.96 1.7 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.82 -127.73 8.79 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -97.41 4.36 50.64 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.427 -1.043 . . . . 0.0 109.363 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.4 m -124.08 131.13 53.52 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.327 -0.858 . . . . 0.0 110.438 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 68' ' ' CYS . 28.0 p -78.13 122.92 26.26 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.535 0.683 . . . . 0.0 109.682 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 70' ' ' SER . 94.0 t -65.43 -46.73 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.2 m 167.52 174.4 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.142 -0.973 . . . . 0.0 110.293 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' ASP . 52.6 m -115.11 130.7 56.99 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 121.667 0.746 . . . . 0.0 109.69 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -62.29 73.72 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.745 0.784 . . . . 0.0 110.014 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 71' ' ' THR . 54.9 m-20 -66.57 -35.52 80.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.488 -0.758 . . . . 0.0 109.34 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -86.88 107.02 18.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.114 -0.991 . . . . 0.0 110.257 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 52.6 p30 -74.86 -16.7 60.67 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.651 0.739 . . . . 0.0 109.453 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 31.9 p-10 -93.32 0.74 57.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.175 -0.953 . . . . 0.0 109.468 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.49 162.66 23.16 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.171 -0.956 . . . . 0.0 110.229 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -83.27 158.38 22.27 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.861 0.838 . . . . 0.0 110.613 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 42.8 tp -63.54 -40.98 98.43 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.691 0.757 . . . . 0.0 109.976 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.33 -5.07 62.01 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -63.18 -44.12 96.3 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.301 -1.117 . . . . 0.0 109.361 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.96 -27.43 11.69 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.388 -0.82 . . . . 0.0 109.15 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.22 75.65 1.27 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.361 -0.837 . . . . 0.0 109.187 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -95.24 8.05 44.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.392 -0.817 . . . . 0.0 108.885 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.2 m -149.36 152.29 35.55 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.176 -0.953 . . . . 0.0 110.228 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -84.57 171.41 12.5 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.886 0.851 . . . . 0.0 111.281 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.92 -1.94 85.38 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.6 mt -77.06 154.01 33.79 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.361 -1.082 . . . . 0.0 109.934 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -119.82 131.79 55.4 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.851 0.834 . . . . 0.0 109.426 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.8 mt -103.7 132.74 49.68 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -114.66 129.8 56.72 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.487 0.66 . . . . 0.0 109.479 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.09 131.74 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.574 0.702 . . . . 0.0 109.309 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.95 119.3 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 94' ' ' ASP . 42.8 p-10 -127.43 108.14 10.57 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.733 0.778 . . . . 0.0 109.613 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 93.0 p . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 117.89 -1.052 . . . . 0.0 108.836 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 . . . . . 0 N--CA 1.495 1.783 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 15' ' ' PHE . 3.4 m-85 -128.01 153.09 47.15 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 pt -121.56 153.15 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.602 -0.686 . . . . 0.0 109.44 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -105.5 114.97 29.47 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.36 164.43 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.46 -0.775 . . . . 0.0 109.411 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -99.93 144.8 28.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.583 -0.698 . . . . 0.0 109.61 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.13 133.79 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.655 ' HG ' ' HD1' ' A' ' 91' ' ' HIS . 32.9 p -139.39 165.47 27.13 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' A' ' 22' ' ' ASN . 0.5 OUTLIER -143.82 131.73 21.55 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.193 -0.942 . . . . 0.0 109.631 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.532 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 60.2 m -63.23 -43.41 98.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.66 -0.65 . . . . 0.0 109.963 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.454 ' CE1' ' O ' ' A' ' 94' ' ' ASP . 58.3 m80 -79.5 -79.42 0.14 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.589 -0.694 . . . . 0.0 110.411 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 58.7 t-20 -62.93 146.65 52.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.522 -0.736 . . . . 0.0 109.843 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.54 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 94.6 m-20 -89.24 0.86 56.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.611 -0.681 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.63 120.43 10.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.465 -0.772 . . . . 0.0 109.447 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -128.09 133.54 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.43 136.02 53.24 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' GLU . 93.7 m-85 -110.26 146.66 35.26 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.398 -0.814 . . . . 0.0 110.595 -178.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' PHE . 97.3 mt-10 40.58 59.1 2.21 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.353 0.596 . . . . 0.0 110.304 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 9.9 p -89.8 121.58 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.428 -0.795 . . . . 0.0 109.06 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -75.39 133.18 41.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.443 -0.786 . . . . 0.0 110.137 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -137.33 130.93 31.46 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.418 -0.801 . . . . 0.0 109.277 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.22 141.57 54.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.449 -0.782 . . . . 0.0 109.548 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -70.65 -15.03 62.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.606 -0.684 . . . . 0.0 110.149 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -85.89 0.87 52.0 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.436 -0.79 . . . . 0.0 109.717 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.6 mt -74.21 139.67 44.55 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 109.984 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 80.5 p -88.75 165.71 14.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.595 -0.69 . . . . 0.0 109.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.54 -43.98 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.578 -0.701 . . . . 0.0 109.271 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.13 92.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.529 -0.732 . . . . 0.0 109.54 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.408 ' O ' ' OG1' ' A' ' 45' ' ' THR . 84.4 mt-30 -65.4 -36.09 82.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.354 -0.841 . . . . 0.0 109.198 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.22 -42.12 99.02 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.503 -0.748 . . . . 0.0 109.128 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.14 -42.41 99.22 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -0.854 . . . . 0.0 109.811 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 76.9 p -61.01 -42.87 99.28 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.271 -0.893 . . . . 0.0 109.348 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -63.42 -42.93 98.73 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.91 -39.28 93.81 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.574 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.1 tt0 -54.25 -44.6 71.91 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.3 -43.71 95.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.251 -0.906 . . . . 0.0 109.088 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -45.2 92.37 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.676 -0.64 . . . . 0.0 109.908 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.443 ' HG1' ' H ' ' A' ' 53' ' ' GLY . 34.8 p -92.02 -12.84 32.1 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.121 -0.987 . . . . 0.0 109.367 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 63.91 18.1 61.68 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.443 ' H ' ' HG1' ' A' ' 51' ' ' THR . . . -89.48 -137.21 6.32 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.477 ' SG ' ' CG2' ' A' ' 57' ' ' THR . 0.5 OUTLIER -136.56 125.13 23.65 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.51 -0.994 . . . . 0.0 109.448 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.31 -13.44 61.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.582 -0.699 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.39 -4.83 75.58 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.477 ' CG2' ' SG ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -143.1 9.56 1.69 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.331 -1.099 . . . . 0.0 108.848 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 56.9 ttm -82.64 144.0 30.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.597 -0.69 . . . . 0.0 110.196 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -124.14 140.54 52.87 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.4 t -113.17 129.96 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -130.76 128.19 40.28 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -87.44 133.72 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.392 -0.817 . . . . 0.0 109.156 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -127.55 145.29 50.91 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.837 0.827 . . . . 0.0 110.219 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -143.96 92.77 2.37 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.81 -133.74 13.48 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 36.8 p-10 -96.54 7.67 45.98 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.379 -1.071 . . . . 0.0 109.831 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -124.41 133.17 53.48 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.493 -0.754 . . . . 0.0 109.774 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.8 t -80.19 126.6 31.31 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.518 -0.739 . . . . 0.0 109.772 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.452 ' O ' ' OG ' ' A' ' 70' ' ' SER . 94.2 t -65.64 -45.34 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.467 -0.771 . . . . 0.0 109.751 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 168.44 176.5 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.322 -0.861 . . . . 0.0 109.398 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.7 m -116.81 129.66 56.23 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -66.21 92.29 0.18 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.354 -0.841 . . . . 0.0 110.129 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 40.4 p-10 -93.01 -21.15 19.93 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.291 -0.88 . . . . 0.0 109.501 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 85.5 m-20 -89.81 109.58 20.56 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.366 -0.834 . . . . 0.0 109.694 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -74.54 -16.63 60.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.477 -0.764 . . . . 0.0 109.622 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 34.9 p-10 -95.78 0.55 52.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.258 -0.901 . . . . 0.0 109.492 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.34 152.14 36.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.395 -0.816 . . . . 0.0 109.879 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.43 158.92 20.91 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.488 -0.758 . . . . 0.0 109.969 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.16 -42.08 99.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.575 -0.703 . . . . 0.0 109.835 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.79 -9.4 65.73 Favored Glycine 0 N--CA 1.492 2.372 0 C-N-CA 119.517 -1.325 . . . . 0.0 109.932 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.27 -45.49 91.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.216 -1.167 . . . . 0.0 109.416 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -104.39 -30.52 10.04 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.402 -0.811 . . . . 0.0 109.543 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.25 68.0 0.87 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.468 -0.77 . . . . 0.0 109.272 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -92.21 2.88 56.34 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.371 -0.83 . . . . 0.0 109.447 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.3 m -135.6 149.78 49.48 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.343 -0.848 . . . . 0.0 109.856 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -85.27 170.74 12.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.376 -0.828 . . . . 0.0 110.475 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.03 -2.91 87.19 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.5 mt -76.92 153.25 34.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.296 -1.12 . . . . 0.0 109.739 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -118.52 129.66 55.49 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.623 -0.673 . . . . 0.0 109.351 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -105.14 131.01 53.17 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.655 ' HD1' ' HG ' ' A' ' 21' ' ' SER . 73.2 t60 -111.14 119.43 38.94 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.607 -0.683 . . . . 0.0 109.369 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.91 128.97 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.615 -0.678 . . . . 0.0 109.362 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.1 t -117.35 123.12 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.454 ' O ' ' CE1' ' A' ' 24' ' ' HIS . 68.1 t0 -100.83 109.23 21.19 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.485 -0.759 . . . . 0.0 109.869 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.12 179.508 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 97.6 m-20 . . . . . 0 N--CA 1.498 1.937 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 14' ' ' ASP . 84.8 m-85 -138.6 130.7 28.33 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-N 122.224 2.284 . . . . 0.0 113.13 -177.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.5 pt -135.02 154.81 37.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 113.727 -1.579 . . . . 0.0 107.426 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -111.28 134.55 52.78 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.9 m -138.26 166.58 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.395 -0.816 . . . . 0.0 109.196 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -100.71 144.14 30.04 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.533 -0.729 . . . . 0.0 109.463 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -125.46 133.66 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 t -135.87 163.45 30.21 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.446 -0.784 . . . . 0.0 109.13 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' SER . 58.3 t-20 -134.95 143.87 47.11 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.446 -0.784 . . . . 0.0 109.69 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.526 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 67.3 m -74.65 -69.5 0.46 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.458 -0.776 . . . . 0.0 110.291 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 94' ' ' ASP . 71.3 m80 -58.32 -44.16 88.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.413 -0.804 . . . . 0.0 110.179 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -92.14 146.43 23.72 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.242 -0.911 . . . . 0.0 110.208 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 26' ' ' ASP . 60.9 t0 -93.45 4.7 53.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.529 -0.732 . . . . 0.0 109.211 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.18 129.26 39.22 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.088 -1.008 . . . . 0.0 109.699 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.95 133.25 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.43 -0.794 . . . . 0.0 109.261 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.27 138.19 44.97 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.444 -0.785 . . . . 0.0 109.177 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -115.37 139.33 50.1 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.521 -0.737 . . . . 0.0 110.236 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 56.01 55.1 7.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.689 -0.632 . . . . 0.0 110.891 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 32' ' ' VAL . 2.5 m -79.01 125.27 38.3 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 O-C-N 121.132 -0.98 . . . . 0.0 109.106 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -93.56 113.07 25.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.977 -1.077 . . . . 0.0 109.472 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.2 mt -133.32 135.06 44.58 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.448 -0.782 . . . . 0.0 109.246 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 14' ' ' ASP . . . -68.87 142.95 54.66 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.376 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -72.95 -11.85 60.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.557 -0.715 . . . . 0.0 109.501 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -84.25 1.16 46.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.168 -0.957 . . . . 0.0 109.656 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.4 mt -77.48 143.74 38.27 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.25 -0.906 . . . . 0.0 110.155 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.7 p -86.32 165.38 16.46 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.447 -0.783 . . . . 0.0 110.006 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.89 -44.12 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.619 -0.675 . . . . 0.0 109.879 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.44 88.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -0.916 . . . . 0.0 109.295 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.04 -37.9 84.91 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.323 -0.86 . . . . 0.0 109.061 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.32 -43.46 98.77 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.402 -0.811 . . . . 0.0 109.18 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.05 -38.99 90.85 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.346 -0.846 . . . . 0.0 109.039 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.8 m -61.17 -46.39 90.7 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.275 -0.891 . . . . 0.0 109.17 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -63.71 -44.41 93.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.333 -0.854 . . . . 0.0 109.188 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.6 -38.68 90.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.549 -0.719 . . . . 0.0 109.283 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.8 tt0 -55.31 -48.05 74.71 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.541 -0.725 . . . . 0.0 109.221 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.9 -43.34 96.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.353 -0.842 . . . . 0.0 109.119 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.28 -41.97 99.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.56 -0.712 . . . . 0.0 110.312 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.1 p -93.09 -15.65 25.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.097 -1.002 . . . . 0.0 109.588 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.5 2.04 18.9 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.0 -171.91 32.49 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 t -97.43 120.8 38.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.506 -0.996 . . . . 0.0 109.293 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.32 -30.68 70.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.435 -0.791 . . . . 0.0 110.181 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.69 90.59 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.5 p -104.57 -5.02 21.87 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.261 -1.14 . . . . 0.0 109.997 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.0 ttp -87.24 125.71 34.37 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.065 -1.022 . . . . 0.0 109.992 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -113.71 150.57 33.1 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.5 t -113.29 132.85 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.536 -0.728 . . . . 0.0 109.385 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -129.5 137.81 51.01 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.64 -0.662 . . . . 0.0 109.292 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.5 t -90.32 130.86 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.463 -0.773 . . . . 0.0 108.999 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -128.63 146.56 50.83 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.881 0.848 . . . . 0.0 110.102 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -146.3 102.82 3.64 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.66 -0.866 . . . . 0.0 108.66 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.2 -129.6 20.67 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -102.25 12.0 37.34 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.538 -0.978 . . . . 0.0 109.755 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -127.64 132.67 49.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.441 -0.787 . . . . 0.0 110.187 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.0 p -78.73 135.26 37.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.527 -0.733 . . . . 0.0 109.626 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.46 -58.71 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 0.0 109.525 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 95.9 p -173.27 164.07 4.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.527 -0.733 . . . . 0.0 109.57 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 86.3 m -110.95 126.75 55.08 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.3 mtt -64.7 85.5 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.267 -0.896 . . . . 0.0 109.755 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 39.5 p-10 -94.63 -24.22 17.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.405 -0.809 . . . . 0.0 109.895 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 99.2 m-20 -92.33 107.25 19.07 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.223 -0.923 . . . . 0.0 110.087 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -64.56 -39.38 93.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.524 -0.735 . . . . 0.0 109.922 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -66.37 -0.93 2.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.4 -0.813 . . . . 0.0 109.863 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.46 152.03 23.52 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.241 -0.912 . . . . 0.0 109.995 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -89.23 164.46 14.95 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.472 -0.767 . . . . 0.0 110.207 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.0 tp -63.15 -41.49 99.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.508 -0.745 . . . . 0.0 109.292 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.4 -5.74 68.22 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -62.32 -44.76 95.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.234 -1.157 . . . . 0.0 108.825 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -101.72 -51.09 3.52 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.482 -0.761 . . . . 0.0 109.372 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.7 143.71 44.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.36 -0.838 . . . . 0.0 110.204 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -169.57 26.86 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 t -149.05 143.18 25.9 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.342 -0.849 . . . . 0.0 109.737 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -85.55 124.41 32.08 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.421 -0.799 . . . . 0.0 109.982 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.16 5.23 15.2 Favored Glycine 0 N--CA 1.502 3.046 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.08 154.12 40.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -1.078 . . . . 0.0 109.668 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -117.5 124.93 49.96 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.709 -0.62 . . . . 0.0 109.539 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.25 124.41 49.49 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.526 ' CE1' ' HG ' ' A' ' 23' ' ' SER . 82.5 t60 -99.38 128.12 45.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.376 -0.828 . . . . 0.0 109.627 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.3 t -101.13 128.0 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.474 -0.766 . . . . 0.0 109.103 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.65 98.8 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.446 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 44.3 p-10 -109.46 141.83 41.34 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.46 -0.775 . . . . 0.0 109.308 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--N 1.305 -1.337 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.549 -179.051 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -131.9 158.47 41.3 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.429 -0.794 . . . . 0.0 109.047 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.7 pt -124.95 155.53 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.437 -0.789 . . . . 0.0 109.328 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -103.29 112.39 25.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.388 -0.82 . . . . 0.0 109.119 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 m -141.23 164.7 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.383 -0.823 . . . . 0.0 109.253 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.32 144.74 28.98 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.456 -0.777 . . . . 0.0 109.24 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.47 132.84 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.501 -0.749 . . . . 0.0 109.094 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 m -131.24 155.22 47.48 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -146.07 132.92 20.1 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.023 -1.048 . . . . 0.0 109.469 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.59 ' HG ' ' HD1' ' A' ' 24' ' ' HIS . 96.4 p -75.99 170.17 16.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.387 -0.821 . . . . 0.0 110.321 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.59 ' HD1' ' HG ' ' A' ' 23' ' ' SER . 73.7 m80 54.46 15.27 0.97 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.586 -0.696 . . . . 0.0 109.439 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -150.32 130.43 13.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.21 -0.931 . . . . 0.0 109.543 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -84.28 1.7 43.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.354 -0.841 . . . . 0.0 109.218 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.38 111.54 15.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.41 -0.806 . . . . 0.0 109.6 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -127.01 133.62 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.56 149.72 26.88 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.395 -0.816 . . . . 0.0 109.341 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -128.0 146.15 50.75 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.391 -0.818 . . . . 0.0 110.171 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 46.87 51.81 12.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.606 -0.683 . . . . 0.0 110.309 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.6 p -92.63 126.21 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.065 -1.022 . . . . 0.0 109.335 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -74.16 135.27 42.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.269 -0.894 . . . . 0.0 109.893 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.87 131.34 37.25 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.409 -0.807 . . . . 0.0 109.452 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.66 135.42 51.35 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.359 -0.838 . . . . 0.0 109.842 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -75.17 -14.34 60.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.472 -0.768 . . . . 0.0 109.55 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -80.06 -0.95 37.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.579 -0.7 . . . . 0.0 109.366 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.26 138.18 40.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.314 -0.866 . . . . 0.0 110.16 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.433 ' OG1' ' OE1' ' A' ' 42' ' ' GLN . 15.1 p -89.43 168.32 12.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.507 -0.745 . . . . 0.0 109.851 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.79 -44.79 99.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.602 -0.686 . . . . 0.0 109.668 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.17 97.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.307 -0.871 . . . . 0.0 109.544 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.433 ' OE1' ' OG1' ' A' ' 39' ' ' THR . 6.1 mp0 -67.55 -36.3 80.71 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.8 tp -62.07 -43.13 99.5 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.31 -0.868 . . . . 0.0 109.065 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.62 -44.06 97.26 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.293 -0.879 . . . . 0.0 109.503 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.8 p -69.55 -39.51 77.39 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.073 -1.017 . . . . 0.0 109.755 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.26 -47.87 80.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.232 -0.918 . . . . 0.0 109.11 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.04 -38.86 89.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.444 -0.785 . . . . 0.0 109.351 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.7 tt0 -50.25 -47.01 55.29 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.396 -0.815 . . . . 0.0 109.034 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.11 -43.15 88.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.478 -0.764 . . . . 0.0 109.478 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.74 -42.66 99.77 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.289 -0.882 . . . . 0.0 110.228 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.5 p -94.42 -18.08 21.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.988 -1.07 . . . . 0.0 109.858 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 72.34 14.28 77.02 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.17 -171.12 37.6 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.1 t -105.68 111.82 24.65 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.542 -0.975 . . . . 0.0 109.294 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.83 -22.73 65.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.481 -0.762 . . . . 0.0 110.276 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.33 -3.59 25.84 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.443 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -152.09 9.61 0.51 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.026 -1.279 . . . . 0.0 109.183 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 37.4 ttp -91.86 127.52 37.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.141 -0.975 . . . . 0.0 109.612 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -116.76 151.43 36.45 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -117.57 133.73 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.537 -0.727 . . . . 0.0 109.083 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -127.96 138.65 52.7 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.578 -0.702 . . . . 0.0 109.409 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.96 134.69 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.394 -0.816 . . . . 0.0 109.214 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -126.17 148.38 49.44 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.881 0.848 . . . . 0.0 110.172 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -148.75 95.56 2.44 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.95 -133.64 17.29 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -96.94 10.02 40.3 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.367 -1.078 . . . . 0.0 109.605 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.4 m -126.83 135.36 50.9 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.415 -0.803 . . . . 0.0 109.994 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 m -83.12 125.84 31.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.525 -0.735 . . . . 0.0 109.653 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.468 ' O ' ' CB ' ' A' ' 70' ' ' SER . 86.3 t -65.52 -45.87 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.327 -0.858 . . . . 0.0 109.585 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.1 m 166.03 175.92 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.387 -0.821 . . . . 0.0 109.201 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.8 m -113.66 131.69 56.06 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -64.6 84.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.29 -0.881 . . . . 0.0 109.841 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -94.6 -22.02 18.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.45 -0.782 . . . . 0.0 109.922 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -83.28 110.53 18.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.147 -0.971 . . . . 0.0 110.46 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -68.31 -33.69 74.77 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.71 -0.619 . . . . 0.0 109.849 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 p-10 -84.01 8.51 15.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.294 -0.879 . . . . 0.0 110.189 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.94 153.23 20.33 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.005 -1.06 . . . . 0.0 109.642 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -93.07 163.48 13.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.26 -0.9 . . . . 0.0 110.416 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.6 tp -63.31 -42.29 99.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.592 -0.693 . . . . 0.0 109.734 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.21 -7.5 63.36 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -63.25 -45.88 89.49 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.268 -1.137 . . . . 0.0 109.226 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -104.99 -30.25 9.92 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.556 -0.715 . . . . 0.0 109.504 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.58 71.66 1.09 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -100.79 7.19 43.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.387 -0.821 . . . . 0.0 109.195 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.8 m -134.48 148.55 50.58 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.408 -0.807 . . . . 0.0 109.528 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -84.79 169.38 14.26 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.269 -0.894 . . . . 0.0 110.466 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.95 -4.14 85.89 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.17 168.74 19.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.197 -1.178 . . . . 0.0 109.819 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -124.77 155.46 39.32 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.731 0.777 . . . . 0.0 109.954 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.6 mt -134.97 97.25 3.69 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -87.38 118.2 26.67 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 0.0 109.584 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.04 130.72 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.362 -0.836 . . . . 0.0 109.241 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.5 t -103.1 113.4 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.315 -0.866 . . . . 0.0 109.051 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 94' ' ' ASP . 45.0 p-10 -127.11 113.76 16.83 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.463 -0.773 . . . . 0.0 109.551 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.023 -179.627 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 . . . . . 0 N--CA 1.498 1.965 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -113.43 140.37 48.14 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.44 0.638 . . . . 0.0 109.621 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.6 pt -130.07 154.33 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.513 -0.742 . . . . 0.0 109.61 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -104.1 123.76 47.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.439 -0.788 . . . . 0.0 109.445 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.01 163.22 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.382 -0.824 . . . . 0.0 109.24 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -103.82 143.22 33.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.62 -0.675 . . . . 0.0 109.2 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.1 t -123.46 131.33 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.9 t -137.05 153.53 50.59 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.538 ' ND2' ' OD2' ' A' ' 94' ' ' ASP . 43.9 t30 -132.97 140.08 47.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.453 -0.78 . . . . 0.0 109.482 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.9 m -60.07 -37.6 80.4 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.58 -0.7 . . . . 0.0 109.754 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -105.01 153.29 21.65 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.335 -0.853 . . . . 0.0 109.899 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 70.25 149.41 0.08 Allowed 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.356 0.598 . . . . 0.0 109.783 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -90.72 6.08 45.54 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.63 106.68 0.58 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 109.207 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -131.34 134.49 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.506 -0.746 . . . . 0.0 109.035 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.31 148.36 32.08 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.373 -0.83 . . . . 0.0 109.034 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' GLU . 94.4 m-85 -124.51 143.91 50.4 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.424 -0.798 . . . . 0.0 110.321 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' PHE . 59.7 mm-40 40.97 42.75 1.6 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.317 0.579 . . . . 0.0 109.83 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.42 130.99 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.2 -0.938 . . . . 0.0 109.52 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -80.23 130.95 35.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.344 -0.848 . . . . 0.0 110.406 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -138.55 124.33 19.83 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.31 138.16 56.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.384 -0.822 . . . . 0.0 109.712 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -75.02 -16.26 60.61 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.672 -0.642 . . . . 0.0 110.154 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -81.54 -0.21 41.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 0.0 109.412 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.1 mt -78.72 144.27 35.43 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.343 -0.848 . . . . 0.0 109.918 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.6 p -84.78 167.34 16.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.378 -0.826 . . . . 0.0 109.981 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.71 -44.28 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.687 -0.633 . . . . 0.0 109.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.18 95.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.284 -0.885 . . . . 0.0 109.753 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -65.28 -31.62 72.87 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.381 -0.825 . . . . 0.0 109.191 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.4 tp -72.65 -38.16 67.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.569 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -60.47 -46.63 89.37 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.244 -0.91 . . . . 0.0 110.198 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 t -63.03 -41.69 99.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.376 -0.828 . . . . 0.0 109.06 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.6 -45.12 94.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.236 -0.915 . . . . 0.0 109.185 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.21 -38.92 89.11 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.436 -0.79 . . . . 0.0 109.199 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 52' ' ' GLY . 47.2 tp10 -51.35 -48.99 62.28 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.429 -0.794 . . . . 0.0 109.61 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.406 HD12 HG21 ' A' ' 49' ' ' ILE . 97.0 mt -64.85 -44.05 96.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.803 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.7 -41.51 98.11 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.323 -0.86 . . . . 0.0 110.518 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 p -95.12 -13.44 25.08 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.055 -1.028 . . . . 0.0 109.618 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 54.19 21.02 17.23 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.443 ' O ' ' OE2' ' A' ' 48' ' ' GLU . . . -78.9 -121.1 0.29 Allowed Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.7 m -148.4 110.43 4.57 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.328 -1.101 . . . . 0.0 109.448 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.29 66.0 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.603 -0.685 . . . . 0.0 109.947 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.8 -5.41 90.06 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 58' ' ' MET . 18.9 p -132.61 -56.47 0.95 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.209 -1.171 . . . . 0.0 110.051 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.405 ' N ' ' OG1' ' A' ' 57' ' ' THR . 0.5 OUTLIER -42.36 145.71 0.38 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.391 -0.818 . . . . 0.0 110.568 -179.214 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -123.82 152.71 41.97 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.687 -0.633 . . . . 0.0 109.444 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.8 t -114.98 132.1 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.465 -0.772 . . . . 0.0 109.23 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -133.47 150.04 51.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.466 -0.771 . . . . 0.0 108.981 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.7 t -100.99 131.98 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.453 -0.779 . . . . 0.0 109.265 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -126.91 143.48 51.26 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.68 0.752 . . . . 0.0 109.402 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -136.89 83.58 2.01 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.89 -126.21 7.31 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 35.8 p-10 -98.23 7.84 45.67 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.419 -1.048 . . . . 0.0 109.843 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.4 m -123.05 131.78 53.84 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.475 -0.766 . . . . 0.0 109.981 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -82.92 119.99 25.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 109.534 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 70' ' ' SER . 94.0 t -64.65 -46.48 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.309 -0.87 . . . . 0.0 109.86 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER 164.77 -175.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.36 -0.837 . . . . 0.0 109.422 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.5 m -120.08 133.58 55.48 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.6 mtt -67.72 87.19 0.22 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.303 -0.873 . . . . 0.0 109.94 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.69 -22.74 19.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.435 -0.791 . . . . 0.0 109.599 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -88.86 105.97 18.08 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.429 -0.794 . . . . 0.0 110.55 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.12 -35.49 78.21 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.697 -0.627 . . . . 0.0 109.668 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -75.18 -4.79 40.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.503 -0.748 . . . . 0.0 109.969 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.57 152.48 28.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.221 -0.924 . . . . 0.0 109.983 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -83.97 162.93 20.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.379 -0.825 . . . . 0.0 110.614 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.8 tp -63.25 -41.22 99.04 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.57 -0.706 . . . . 0.0 109.273 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.59 -4.27 65.04 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -62.53 -45.16 94.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.317 -1.108 . . . . 0.0 109.273 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.03 -27.97 13.3 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.471 -0.768 . . . . 0.0 109.048 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.74 142.28 30.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.453 -0.779 . . . . 0.0 109.426 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -166.45 27.08 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.341 -0.849 . . . . 0.0 108.915 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -149.07 152.59 36.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.455 -0.778 . . . . 0.0 109.454 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -92.59 119.49 32.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.155 -0.966 . . . . 0.0 109.751 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.61 11.67 5.91 Favored Glycine 0 N--CA 1.501 2.997 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.18 151.97 42.58 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.397 -1.061 . . . . 0.0 109.356 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -116.43 125.34 51.88 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.8 mt -106.13 133.51 50.73 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -118.2 128.0 54.28 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.9 t -107.93 129.13 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.17 111.91 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.377 -0.827 . . . . 0.0 109.126 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.538 ' OD2' ' ND2' ' A' ' 22' ' ' ASN . 99.6 m-20 -99.86 113.58 26.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.314 -0.866 . . . . 0.0 110.039 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.141 179.621 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -113.33 155.89 24.36 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.1 pt -127.22 153.36 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.719 -0.613 . . . . 0.0 109.501 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -95.81 114.73 26.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.49 -0.756 . . . . 0.0 109.395 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.95 165.61 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.558 -0.714 . . . . 0.0 109.659 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -98.71 140.9 32.22 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.698 -0.626 . . . . 0.0 109.443 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.5 t -126.94 135.63 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.613 -0.679 . . . . 0.0 109.287 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.4 p -134.87 154.91 51.47 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.481 -0.762 . . . . 0.0 109.421 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -133.52 132.91 41.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.541 -0.724 . . . . 0.0 109.398 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.512 ' C ' ' H ' ' A' ' 25' ' ' ASN . 43.1 t -77.82 155.61 30.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.388 -0.82 . . . . 0.0 110.219 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 m80 68.06 -38.18 0.36 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.739 -0.601 . . . . 0.0 110.077 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 27' ' ' ALA . 98.9 m-20 -91.11 -7.32 51.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.081 -1.012 . . . . 0.0 109.034 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' ASN . 98.3 m-20 42.73 20.7 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.485 0.66 . . . . 0.0 109.613 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . -84.46 123.5 30.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.483 -0.761 . . . . 0.0 109.542 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.2 t -128.22 131.51 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.61 -0.681 . . . . 0.0 109.384 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.34 139.42 46.76 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLU . 95.5 m-85 -105.02 145.81 29.93 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.51 -0.744 . . . . 0.0 110.654 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' PHE . 98.5 mt-10 35.47 62.98 0.56 Allowed 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 121.32 0.581 . . . . 0.0 110.776 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.5 p -90.32 127.02 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 108.704 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -82.36 120.17 25.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.247 -0.908 . . . . 0.0 110.04 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.566 ' CD2' ' HZ3' ' A' ' 46' ' ' LYS . 90.4 mt -134.1 132.24 39.69 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.35 130.7 43.9 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.411 -0.806 . . . . 0.0 109.674 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -74.64 -14.57 60.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.542 -0.724 . . . . 0.0 109.679 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -79.94 -2.43 43.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 0.0 109.406 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.1 mt -80.81 154.14 27.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.24 -0.912 . . . . 0.0 109.558 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.509 ' OG1' ' NE2' ' A' ' 42' ' ' GLN . 6.4 p -80.31 173.83 12.21 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.314 1.054 . . . . 0.0 110.492 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.47 -42.43 83.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 N-CA-C 102.066 -3.309 . . . . 0.0 102.066 173.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.5 -50.76 59.27 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 113.144 -1.844 . . . . 0.0 108.894 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.509 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.2 mp0 -67.15 -38.53 85.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.06 -1.025 . . . . 0.0 108.708 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.27 -44.49 96.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.327 -0.858 . . . . 0.0 109.431 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.65 -40.82 98.22 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -61.68 -46.73 88.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.287 -0.883 . . . . 0.0 109.033 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.566 ' HZ3' ' CD2' ' A' ' 34' ' ' LEU . 38.3 ttmt -63.87 -46.47 84.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.207 -0.933 . . . . 0.0 109.177 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.5 -35.61 81.51 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.59 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.2 tt0 -58.59 -39.88 81.61 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.38 -43.69 97.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.7 tp -64.61 -41.78 95.97 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 121.332 0.587 . . . . 0.0 110.22 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.2 p -93.12 -11.24 33.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.131 -0.981 . . . . 0.0 109.682 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 53.35 16.76 5.16 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.61 -147.28 22.4 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -113.91 125.13 53.7 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.651 -0.911 . . . . 0.0 109.847 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.72 -34.77 79.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.425 -0.797 . . . . 0.0 110.006 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.07 -37.78 93.31 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -97.98 2.27 48.77 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.057 -1.26 . . . . 0.0 109.751 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.3 ttm -79.69 138.55 37.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.375 -0.828 . . . . 0.0 109.793 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -123.19 139.21 54.29 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.7 t -114.36 131.67 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -130.67 123.82 30.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.494 -0.754 . . . . 0.0 109.708 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.452 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 21.2 t -85.83 131.86 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.595 -0.691 . . . . 0.0 109.421 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -129.24 144.59 51.28 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-O 121.819 0.818 . . . . 0.0 110.292 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -147.97 80.44 1.48 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.97 -136.53 12.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -94.66 6.55 48.57 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.395 -1.062 . . . . 0.0 110.278 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.6 m -126.51 136.31 52.44 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.394 -0.816 . . . . 0.0 110.23 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 62' ' ' VAL . 48.8 t -78.03 122.73 25.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.523 -0.736 . . . . 0.0 109.322 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.26 -49.43 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.272 -0.893 . . . . 0.0 110.2 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.1 p -172.51 164.09 5.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.148 -0.97 . . . . 0.0 109.788 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.1 m -118.04 127.49 53.85 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -67.7 90.11 0.27 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.236 -0.915 . . . . 0.0 109.843 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 67.3 t0 -93.67 -30.24 15.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.438 -0.789 . . . . 0.0 109.714 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -90.86 111.43 22.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.293 -0.879 . . . . 0.0 109.648 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 51.8 p-10 -72.35 -19.13 61.69 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.341 -0.849 . . . . 0.0 109.857 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 23.9 p30 -88.01 0.09 56.37 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.363 -0.835 . . . . 0.0 109.646 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.1 153.9 27.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 109.574 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -81.87 157.01 24.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.381 -0.824 . . . . 0.0 110.301 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.5 tp -62.51 -41.9 99.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.5 -0.75 . . . . 0.0 109.678 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.66 -5.48 51.14 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -62.32 -46.42 88.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -1.158 . . . . 0.0 108.712 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -106.21 -29.33 9.9 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.607 -0.683 . . . . 0.0 109.275 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.71 69.61 1.61 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.521 -0.737 . . . . 0.0 109.215 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -98.16 7.14 46.71 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.359 -0.838 . . . . 0.0 109.505 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 t -141.67 145.72 35.27 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.327 -0.858 . . . . 0.0 109.473 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.4 p30 -83.02 169.69 15.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.335 -0.853 . . . . 0.0 110.025 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.4 -5.94 84.22 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -75.9 153.76 36.48 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.331 -1.099 . . . . 0.0 109.208 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -115.03 129.37 56.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.492 -0.755 . . . . 0.0 109.374 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.66 126.98 53.57 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -114.29 120.41 40.31 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.49 0.662 . . . . 0.0 109.539 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -93.48 131.12 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.595 -0.691 . . . . 0.0 109.368 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 49.1 t -118.08 113.31 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -102.15 111.59 23.94 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.549 -0.719 . . . . 0.0 109.77 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.906 -1.045 . . . . 0.0 109.42 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.326 0.584 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -129.74 147.17 51.49 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.551 -0.718 . . . . 0.0 109.576 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.2 pt -132.48 147.11 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.479 -0.763 . . . . 0.0 109.767 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -90.56 127.75 36.36 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.703 0.763 . . . . 0.0 110.274 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.1 162.06 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.476 -0.765 . . . . 0.0 109.949 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -100.4 138.14 37.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.461 -0.775 . . . . 0.0 109.237 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -125.2 132.78 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 CA-C-O 121.606 0.717 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.7 p -136.92 162.67 32.62 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.656 0.741 . . . . 0.0 109.656 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -143.39 139.79 30.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.391 -0.818 . . . . 0.0 109.431 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.3 m -60.41 -38.93 85.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.567 -0.708 . . . . 0.0 110.122 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.421 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 76.4 m80 -100.55 159.94 14.75 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.274 -0.891 . . . . 0.0 110.64 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m120 60.57 145.18 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.83 0.824 . . . . 0.0 109.942 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -85.08 9.34 15.08 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 0.0 108.749 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.84 107.3 1.77 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.529 -0.732 . . . . 0.0 109.625 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -131.46 133.78 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.86 139.29 42.67 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.516 -0.74 . . . . 0.0 109.17 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 31' ' ' GLU . 69.3 m-85 -111.83 145.59 39.17 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.686 -0.634 . . . . 0.0 110.266 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' PHE . 16.2 pt-20 33.52 45.11 0.08 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.4 0.619 . . . . 0.0 110.791 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.0 p -78.41 126.41 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -84.75 136.66 33.61 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.641 0.734 . . . . 0.0 110.574 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -137.1 142.89 42.32 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.477 -0.764 . . . . 0.0 109.611 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.39 138.19 51.1 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.745 0.783 . . . . 0.0 109.482 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -75.09 -15.0 60.63 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.466 -0.771 . . . . 0.0 109.82 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.11 -1.35 43.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 109.436 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -76.48 143.42 40.5 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.143 -0.973 . . . . 0.0 110.231 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.4 p -85.67 165.53 16.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.421 -0.799 . . . . 0.0 110.47 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.498 ' CG1' ' HZ2' ' A' ' 44' ' ' LYS . 73.0 t -65.46 -43.52 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.68 -0.638 . . . . 0.0 110.09 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.93 98.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.191 -0.943 . . . . 0.0 109.836 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.412 ' O ' ' OG1' ' A' ' 45' ' ' THR . 86.1 mt-30 -63.26 -35.13 79.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.337 -0.852 . . . . 0.0 109.324 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.85 -39.48 94.31 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.551 -0.718 . . . . 0.0 109.381 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.498 ' HZ2' ' CG1' ' A' ' 40' ' ' VAL . 14.4 mptt -62.05 -42.8 99.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.478 -0.764 . . . . 0.0 109.276 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 64.4 p -59.66 -44.21 93.65 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.233 -0.917 . . . . 0.0 109.61 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -62.98 -43.18 99.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 109.473 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.58 -38.54 89.82 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.452 -0.78 . . . . 0.0 109.361 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.7 tt0 -56.78 -37.43 71.1 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.2 mm -68.6 -43.58 83.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.411 -0.806 . . . . 0.0 108.967 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.33 -40.84 96.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.435 -0.79 . . . . 0.0 110.146 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.2 p -94.15 -14.93 25.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.061 -1.024 . . . . 0.0 109.367 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 63.36 19.75 62.46 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.86 -145.84 16.55 Favored Glycine 0 N--CA 1.494 2.556 0 O-C-N 121.248 -1.148 . . . . 0.0 110.292 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 m -123.89 132.38 53.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.586 -0.949 . . . . 0.0 109.434 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.46 -13.83 60.4 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.685 -0.635 . . . . 0.0 109.607 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.59 -0.98 64.56 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.0 OUTLIER -146.46 17.85 1.33 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.415 -1.05 . . . . 0.0 108.29 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.7 ttm -87.71 132.85 33.98 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.448 -0.782 . . . . 0.0 110.628 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' C ' HE22 ' A' ' 61' ' ' GLN . 52.9 mtpt -127.02 133.75 50.47 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.4 t -119.99 134.4 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.53 -0.731 . . . . 0.0 109.238 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.488 ' N ' ' CD ' ' A' ' 61' ' ' GLN . 19.2 mp0 -127.51 132.49 49.94 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.509 0.671 . . . . 0.0 109.214 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.5 t -83.56 134.14 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.53 -0.731 . . . . 0.0 109.837 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -126.67 144.65 50.85 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.89 0.852 . . . . 0.0 109.859 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -144.3 87.89 1.91 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.27 -127.56 8.01 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 34.6 p-10 -100.91 11.72 39.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -1.097 . . . . 0.0 109.114 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.1 m -130.01 130.67 45.28 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.757 0.789 . . . . 0.0 110.266 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.5 t -79.23 124.69 28.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.448 -0.782 . . . . 0.0 109.721 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 70' ' ' SER . 88.3 t -65.97 -45.68 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.351 -0.843 . . . . 0.0 109.596 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 166.75 177.02 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.261 -0.899 . . . . 0.0 109.905 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 89.9 m -114.79 130.32 56.84 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.625 0.726 . . . . 0.0 109.515 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt -65.64 84.39 0.07 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.463 -0.773 . . . . 0.0 109.784 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.48 -20.06 21.36 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.613 -0.68 . . . . 0.0 109.414 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -89.5 104.99 17.5 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.07 -1.019 . . . . 0.0 109.937 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.94 -34.16 74.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.6 -0.688 . . . . 0.0 109.446 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 38.9 p-10 -77.32 -2.23 33.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.402 -0.811 . . . . 0.0 109.721 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.37 148.94 25.36 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.258 -0.901 . . . . 0.0 110.032 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -80.13 165.59 22.32 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.839 0.828 . . . . 0.0 110.615 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.46 -41.47 98.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.601 -0.687 . . . . 0.0 109.467 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.75 -3.88 51.6 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -62.5 -44.96 95.11 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.343 -1.093 . . . . 0.0 109.434 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -105.26 -27.73 11.36 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.477 -0.764 . . . . 0.0 109.078 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.42 80.63 2.1 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.434 -0.791 . . . . 0.0 109.318 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -101.88 11.69 38.21 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -146.43 147.94 31.77 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.275 -0.89 . . . . 0.0 109.975 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -82.55 167.68 18.11 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.351 -0.843 . . . . 0.0 110.592 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.84 -3.4 82.97 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.84 152.02 38.98 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.365 -1.08 . . . . 0.0 110.023 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -120.82 131.13 54.28 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.576 -0.703 . . . . 0.0 109.6 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -107.27 132.25 53.3 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -110.71 118.82 37.2 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.527 0.679 . . . . 0.0 109.498 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.3 t -91.17 130.11 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.695 -0.628 . . . . 0.0 109.613 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.05 103.04 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.421 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 39.2 p-10 -102.56 111.67 24.08 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.635 -0.666 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 117.979 -1.01 . . . . 0.0 108.964 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 N--CA 1.496 1.842 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.95 145.92 52.19 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.6 pt -133.17 160.92 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.511 -0.743 . . . . 0.0 109.971 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -116.8 120.74 39.49 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.92 168.02 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.536 -0.728 . . . . 0.0 109.718 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -98.89 141.67 31.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.495 -0.753 . . . . 0.0 109.461 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.9 t -122.97 132.91 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.524 -0.735 . . . . 0.0 109.426 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.9 t -150.69 178.13 9.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.458 -0.776 . . . . 0.0 109.618 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -147.61 167.15 25.3 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.304 -0.873 . . . . 0.0 109.849 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.8 t -63.01 -42.35 99.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.526 -0.734 . . . . 0.0 110.032 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -68.81 -10.52 57.24 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.224 -0.923 . . . . 0.0 108.611 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER 50.92 -121.38 1.77 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.58 -0.7 . . . . 0.0 109.908 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.506 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 99.1 m-20 57.32 -68.99 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.391 0.615 . . . . 0.0 109.939 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . -97.25 118.44 33.71 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.328 -0.858 . . . . 0.0 109.811 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.23 133.71 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.47 129.33 55.56 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -111.02 148.13 33.24 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.562 0.696 . . . . 0.0 110.204 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 55.43 60.81 3.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.723 -0.611 . . . . 0.0 110.337 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 1.6 m -85.95 129.81 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 121.086 -1.009 . . . . 0.0 109.414 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -107.01 106.13 16.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.318 -0.863 . . . . 0.0 108.803 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.2 mt -127.15 144.13 51.11 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.482 -0.761 . . . . 0.0 109.193 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.31 144.11 42.59 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.525 -0.734 . . . . 0.0 110.359 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -72.84 -12.99 61.19 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.548 -0.72 . . . . 0.0 109.588 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -81.1 -0.79 41.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.276 -0.89 . . . . 0.0 109.743 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.5 142.3 37.55 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.878 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.5 p -84.66 165.87 17.55 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.304 -0.873 . . . . 0.0 110.267 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.22 -43.35 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.591 -0.693 . . . . 0.0 109.605 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.05 96.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.269 -0.895 . . . . 0.0 109.579 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.78 -36.47 82.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 0.0 108.962 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.92 -42.6 99.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.391 -0.818 . . . . 0.0 109.137 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -63.11 -38.37 90.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.504 -0.747 . . . . 0.0 109.489 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.0 m -59.93 -46.25 89.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.376 -0.828 . . . . 0.0 109.148 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.66 -43.68 96.02 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.297 -0.877 . . . . 0.0 109.223 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.87 -38.85 92.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.363 -0.836 . . . . 0.0 109.327 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.7 tt0 -54.78 -48.05 73.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.298 -0.876 . . . . 0.0 109.257 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.75 -43.51 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.9 . . . . 0.0 109.431 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.21 -41.7 96.93 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.469 -0.769 . . . . 0.0 110.483 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.6 p -94.56 -13.64 25.81 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.991 -1.068 . . . . 0.0 109.365 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.84 11.32 53.97 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.52 -159.41 23.55 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.2 m -118.89 122.17 41.68 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.657 -0.908 . . . . 0.0 109.336 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.94 68.65 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.515 -0.741 . . . . 0.0 109.777 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.83 -5.79 33.62 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 t -140.73 1.92 1.75 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.168 -1.196 . . . . 0.0 109.332 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.2 ttm -78.94 139.43 38.25 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 110.193 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -124.71 141.09 52.35 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.565 -0.709 . . . . 0.0 109.602 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.3 t -115.17 132.32 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.675 -0.641 . . . . 0.0 109.327 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -127.87 130.49 48.64 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.14 132.58 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.397 -0.814 . . . . 0.0 109.565 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -127.05 144.88 50.91 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.759 0.79 . . . . 0.0 110.109 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -141.31 82.62 1.83 Allowed 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.41 -129.03 9.06 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -96.87 3.98 51.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.469 -1.018 . . . . 0.0 109.603 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.1 m -126.26 132.71 51.64 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.45 -0.781 . . . . 0.0 110.461 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 p -80.77 125.2 29.77 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.507 -0.745 . . . . 0.0 110.047 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.449 ' O ' ' OG ' ' A' ' 70' ' ' SER . 11.2 t -66.05 -44.88 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.406 -0.809 . . . . 0.0 109.31 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 69' ' ' VAL . 2.2 m 171.4 179.16 0.06 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.433 -0.792 . . . . 0.0 109.345 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 99.1 m -119.0 130.43 55.68 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.431 0.634 . . . . 0.0 109.64 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.3 mtt -63.81 84.98 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.588 -0.695 . . . . 0.0 109.603 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 28.5 p30 -93.57 -19.92 20.73 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.466 -0.771 . . . . 0.0 109.678 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 55.3 t-20 -95.42 106.35 18.4 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.162 -0.961 . . . . 0.0 110.065 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -67.47 -35.48 79.27 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.713 -0.617 . . . . 0.0 110.025 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -73.88 -4.49 35.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 110.115 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.87 153.8 27.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.126 -0.984 . . . . 0.0 110.509 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -81.57 162.38 23.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.584 -0.698 . . . . 0.0 110.477 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.5 tp -63.12 -41.8 99.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.471 -0.768 . . . . 0.0 109.714 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.88 -3.67 56.29 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -63.08 -44.98 94.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.337 -1.096 . . . . 0.0 109.598 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -106.26 -31.0 8.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.501 -0.75 . . . . 0.0 109.426 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.43 77.65 1.3 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.476 -0.765 . . . . 0.0 109.178 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -100.22 5.86 44.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.439 -0.788 . . . . 0.0 109.397 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.2 m -134.63 149.09 50.52 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.365 -0.834 . . . . 0.0 109.807 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -84.86 171.56 12.12 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.435 -0.791 . . . . 0.0 110.377 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.79 -1.88 87.94 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.6 mt -78.89 160.38 27.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.369 -1.077 . . . . 0.0 110.081 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -126.18 135.87 52.16 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.481 0.657 . . . . 0.0 109.685 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.1 mt -107.86 129.91 55.04 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -112.32 114.58 27.41 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.0 t -96.57 126.98 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.373 -0.83 . . . . 0.0 109.427 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.59 117.08 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -112.92 145.46 40.71 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.408 0.623 . . . . 0.0 109.942 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.008 179.683 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -111.03 146.71 36.23 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.555 -0.716 . . . . 0.0 110.105 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.2 pt -127.23 159.87 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -101.35 119.75 39.23 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.312 -0.868 . . . . 0.0 109.619 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -138.55 165.17 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.532 -0.73 . . . . 0.0 109.636 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -102.04 142.54 33.15 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.621 -0.674 . . . . 0.0 109.523 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -125.83 135.08 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.624 -0.672 . . . . 0.0 109.188 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 96.5 p -145.27 166.16 26.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.337 -0.852 . . . . 0.0 108.871 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.7 p30 -143.02 154.28 43.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.237 -0.914 . . . . 0.0 109.935 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 m -62.51 -41.77 99.06 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.574 -0.704 . . . . 0.0 110.17 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 25' ' ' ASN . 75.9 m80 -91.66 153.15 19.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.136 -0.977 . . . . 0.0 110.62 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' HIS . 75.0 m-20 59.08 143.2 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.673 0.749 . . . . 0.0 110.599 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.8 4.08 34.68 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.84 109.23 0.6 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.494 -0.754 . . . . 0.0 109.664 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -126.15 133.36 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.525 -0.734 . . . . 0.0 109.228 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.8 139.79 36.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -118.49 143.62 46.6 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.504 -0.748 . . . . 0.0 110.296 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 48.24 51.41 14.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.561 -0.712 . . . . 0.0 109.573 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.8 p -84.44 125.46 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.343 -0.848 . . . . 0.0 109.587 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -81.85 120.16 24.83 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.309 -0.869 . . . . 0.0 109.994 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.3 mt -135.58 138.3 42.84 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.478 -0.764 . . . . 0.0 109.246 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.36 127.82 33.84 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.438 -0.789 . . . . 0.0 109.803 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -75.39 -11.74 60.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.58 -0.7 . . . . 0.0 109.834 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -80.46 -1.11 40.19 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.197 -0.939 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -77.19 149.84 35.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.349 -0.845 . . . . 0.0 111.008 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.418 ' OG1' ' OE1' ' A' ' 42' ' ' GLN . 17.1 p -83.17 165.27 19.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.497 -0.752 . . . . 0.0 110.292 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.51 -43.71 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.502 -0.749 . . . . 0.0 109.933 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.16 98.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.239 -0.913 . . . . 0.0 110.066 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.418 ' OE1' ' OG1' ' A' ' 39' ' ' THR . 85.7 mt-30 -65.26 -34.66 78.87 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.203 -0.936 . . . . 0.0 109.21 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.74 -41.01 98.97 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.389 -0.819 . . . . 0.0 109.044 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.82 -40.08 91.38 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.336 -0.852 . . . . 0.0 109.103 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m -61.21 -45.9 92.66 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.289 -0.882 . . . . 0.0 109.272 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -63.58 -43.51 96.79 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.317 -0.864 . . . . 0.0 109.142 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.15 -38.91 93.05 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.9 tt0 -54.08 -46.23 71.96 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.248 -0.907 . . . . 0.0 109.45 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.12 -43.43 98.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 120.717 -1.24 . . . . 0.0 108.979 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.04 -45.21 82.25 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.323 -0.86 . . . . 0.0 111.355 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.5 p -107.1 -47.23 3.73 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.157 -0.965 . . . . 0.0 110.352 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 76.64 23.76 69.25 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.81 34.32 2.98 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.5 m 64.96 109.46 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.652 -0.91 . . . . 0.0 110.184 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.76 78.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.753 -0.592 . . . . 0.0 109.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.88 -34.79 90.83 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 m -98.56 -11.57 22.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.161 -1.199 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.5 ttm -68.87 140.33 55.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 109.801 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -127.23 146.5 50.4 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.594 -0.691 . . . . 0.0 109.233 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.9 t -114.03 131.9 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.608 -0.683 . . . . 0.0 109.172 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -133.63 133.09 41.54 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.2 t -90.01 132.55 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.379 -0.826 . . . . 0.0 109.428 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -128.8 147.78 50.82 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.664 -0.648 . . . . 0.0 109.502 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -142.51 95.84 2.85 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.73 -96.44 1.29 Allowed Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -133.74 24.16 3.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.507 -0.996 . . . . 0.0 109.171 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.4 t -140.01 144.39 36.91 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.352 -0.843 . . . . 0.0 110.173 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.33 120.4 30.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.543 -0.723 . . . . 0.0 109.974 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.458 ' O ' ' OG ' ' A' ' 70' ' ' SER . 77.3 t -65.38 -44.9 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.248 -0.907 . . . . 0.0 109.142 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 69' ' ' VAL . 2.7 m 172.61 170.31 0.12 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.507 -0.746 . . . . 0.0 109.081 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' ASP . 53.7 m -110.96 128.4 55.82 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.632 -0.668 . . . . 0.0 109.307 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.3 mtt -63.19 83.25 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.24 -0.913 . . . . 0.0 109.302 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 48.0 p-10 -90.93 -23.4 20.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.39 -0.819 . . . . 0.0 109.305 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 25.7 t-20 -95.57 105.37 17.34 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.324 -0.86 . . . . 0.0 109.851 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.431 ' C ' ' H ' ' A' ' 77' ' ' ALA . 10.9 m120 -65.49 -37.75 87.73 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.629 -0.669 . . . . 0.0 109.73 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -62.87 -3.89 1.84 Allowed 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.287 -0.883 . . . . 0.0 109.238 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' A' ' 75' ' ' ASN . . . -82.27 154.07 25.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.337 -0.852 . . . . 0.0 109.985 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -90.46 162.43 15.08 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.34 -0.85 . . . . 0.0 110.226 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.2 tp -64.22 -40.07 95.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.598 -0.689 . . . . 0.0 109.679 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.84 -6.22 71.97 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -62.93 -44.25 96.59 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.488 -1.007 . . . . 0.0 109.23 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -106.48 -27.79 10.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.624 -0.672 . . . . 0.0 109.347 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.8 64.4 1.08 Allowed 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.9 p30 -96.29 8.37 44.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.471 -0.768 . . . . 0.0 109.565 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -137.66 141.19 41.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.305 -0.872 . . . . 0.0 109.703 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.55 162.08 24.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.493 -0.755 . . . . 0.0 110.469 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.58 -1.24 75.35 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.1 mt -77.16 155.77 32.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.304 -1.115 . . . . 0.0 110.072 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -116.01 125.92 53.12 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -105.05 131.1 52.98 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -119.5 128.67 54.19 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.4 t -101.99 130.34 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 88.8 t -111.41 110.82 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.656 -0.653 . . . . 0.0 109.324 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -96.99 141.05 30.62 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.476 -0.765 . . . . 0.0 109.738 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.91 179.884 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -129.73 145.24 51.55 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.584 0.707 . . . . 0.0 109.135 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 pt -128.31 152.38 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 CA-C-O 121.708 0.766 . . . . 0.0 110.263 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -99.16 118.28 35.54 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.725 0.774 . . . . 0.0 110.417 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.13 165.75 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 CA-C-O 121.653 0.74 . . . . 0.0 109.923 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' A' ' 20' ' ' VAL . 61.2 t-20 -101.89 141.82 34.15 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.541 0.686 . . . . 0.0 109.675 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.511 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 54.9 t -124.68 133.42 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.918 0.866 . . . . 0.0 109.623 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 t -135.15 148.37 49.71 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.596 0.712 . . . . 0.0 109.832 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -119.48 133.02 55.88 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.788 0.804 . . . . 0.0 109.549 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.8 t -63.54 -44.48 94.06 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.934 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -116.97 82.24 1.77 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.63 0.729 . . . . 0.0 110.162 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.542 ' C ' ' H ' ' A' ' 27' ' ' ALA . 1.9 t30 -175.22 -24.03 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.0 t0 62.75 -0.56 0.55 Allowed 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.542 ' H ' ' C ' ' A' ' 25' ' ' ASN . . . -95.04 129.78 41.99 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.642 0.735 . . . . 0.0 110.21 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -129.71 132.01 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-O 121.601 0.715 . . . . 0.0 110.056 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.14 136.47 44.58 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.444 0.64 . . . . 0.0 109.476 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -116.18 142.25 47.07 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.933 0.873 . . . . 0.0 111.197 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 51.75 48.72 22.28 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.468 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 6.2 p -90.77 116.56 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-O 121.774 0.797 . . . . 0.0 109.728 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -83.2 130.42 35.09 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.852 0.834 . . . . 0.0 109.899 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.4 mt -139.61 142.0 37.1 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.664 0.745 . . . . 0.0 109.588 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.31 129.2 39.0 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.817 0.818 . . . . 0.0 110.015 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -75.51 -15.4 60.4 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.958 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -80.92 -2.07 46.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.741 -0.599 . . . . 0.0 109.66 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.3 mt -76.56 145.57 38.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 109.982 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.2 p -85.81 166.38 16.1 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 121.622 0.725 . . . . 0.0 110.106 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.54 -43.45 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 CA-C-O 121.173 0.511 . . . . 0.0 109.779 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.61 -44.55 89.95 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.753 -0.592 . . . . 0.0 109.598 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.42 ' O ' ' OG1' ' A' ' 45' ' ' THR . 86.6 mt-30 -66.19 -41.15 90.64 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.757 -0.59 . . . . 0.0 109.447 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.81 -38.56 89.27 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.02 -42.54 90.4 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.792 -0.568 . . . . 0.0 109.526 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 66.9 p -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.35 -41.8 98.86 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.61 -38.45 91.05 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 52' ' ' GLY . 12.0 tm-20 -54.27 -47.36 72.41 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.876 -0.515 . . . . 0.0 109.926 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 92.0 mt -66.16 -42.84 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.61 -41.95 98.25 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.971 -0.456 . . . . 0.0 110.318 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 p -94.03 -16.52 23.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.633 -0.667 . . . . 0.0 109.452 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.38 15.49 61.39 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.18 -157.27 31.84 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -111.87 123.28 49.91 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.612 0.72 . . . . 0.0 109.49 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 -23.19 67.17 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 121.226 0.536 . . . . 0.0 109.808 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.9 -42.14 99.54 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -106.55 10.91 31.09 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.498 -1.001 . . . . 0.0 109.897 -178.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.6 ttm -77.69 135.64 38.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.447 -0.783 . . . . 0.0 110.169 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -131.09 138.17 49.43 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.588 0.709 . . . . 0.0 109.641 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.3 t -110.51 131.44 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-O 121.617 0.723 . . . . 0.0 109.495 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -133.57 123.58 25.38 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.734 0.778 . . . . 0.0 109.789 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.6 t -78.07 134.31 28.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-O 121.569 0.699 . . . . 0.0 109.577 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.419 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 21.0 m-85 -126.38 146.74 49.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.06 0.933 . . . . 0.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -152.93 95.86 2.03 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.19 -129.44 10.6 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.6 p30 -98.9 7.53 45.93 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 122.089 -0.653 . . . . 0.0 109.351 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.6 m -129.36 134.58 47.95 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.89 0.853 . . . . 0.0 110.903 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.419 ' SG ' ' CE1' ' A' ' 63' ' ' PHE . 3.8 m -82.65 124.73 30.46 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.329 0.585 . . . . 0.0 109.469 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.6 t -66.7 -50.04 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.886 -0.509 . . . . 0.0 110.159 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -174.55 170.32 3.51 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.766 0.793 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.7 m -116.34 127.19 54.45 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.445 0.64 . . . . 0.0 109.405 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.4 mtt -68.75 65.12 0.12 Allowed 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.481 0.658 . . . . 0.0 109.421 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -82.19 -7.09 59.61 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.63 110.08 21.9 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.736 0.779 . . . . 0.0 109.523 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 43.7 p-10 -75.06 -17.07 60.54 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 36.2 p30 -93.44 -2.34 54.67 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.97 151.98 28.22 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.703 0.763 . . . . 0.0 110.462 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -85.15 159.8 20.07 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.617 0.722 . . . . 0.0 110.452 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.14 -39.8 94.8 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.37 -9.33 77.33 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -62.99 -44.5 95.87 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.723 -0.869 . . . . 0.0 109.126 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -104.8 -25.97 12.43 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.34 70.55 0.97 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.587 -0.696 . . . . 0.0 109.135 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.0 p30 -97.24 12.01 34.41 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.1 t -149.48 149.25 30.47 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.707 0.765 . . . . 0.0 110.065 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -83.52 167.83 17.03 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.481 0.657 . . . . 0.0 110.251 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.05 -1.95 85.17 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.66 154.24 34.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.826 -0.808 . . . . 0.0 110.274 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -122.18 128.7 51.54 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.759 0.79 . . . . 0.0 109.997 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.1 mt -104.58 131.47 51.95 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.431 0.634 . . . . 0.0 109.832 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -114.63 116.85 29.39 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.642 0.735 . . . . 0.0 109.62 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 87.1 t -90.91 132.26 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 121.419 0.628 . . . . 0.0 109.698 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -118.77 116.24 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 CA-C-O 121.759 0.79 . . . . 0.0 109.553 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -112.47 111.95 23.16 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.582 0.706 . . . . 0.0 110.036 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.66 179.278 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.519 ' OD1' ' NZ ' ' A' ' 36' ' ' LYS . 31.2 t70 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -129.06 147.02 50.88 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.506 -0.746 . . . . 0.0 109.243 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.9 pt -137.68 154.42 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.306 -0.871 . . . . 0.0 109.33 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -112.04 129.85 56.07 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.482 -0.761 . . . . 0.0 109.329 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 m -140.96 163.82 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.214 -0.929 . . . . 0.0 109.144 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -98.35 144.37 27.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.356 -0.84 . . . . 0.0 109.029 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.3 t -122.18 133.3 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.408 -0.807 . . . . 0.0 108.99 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.3 t -134.05 152.75 51.97 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -135.47 145.0 46.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.35 -0.844 . . . . 0.0 109.98 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.7 m -60.8 -41.32 95.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.542 -0.724 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -93.26 148.8 21.72 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.979 -1.075 . . . . 0.0 110.463 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 58.7 t-20 61.23 141.87 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.6 0.714 . . . . 0.0 110.246 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 94.8 m-20 -82.47 10.6 6.89 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.87 108.3 0.84 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.886 . . . . 0.0 109.717 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.4 t -126.01 134.03 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 121.429 -0.795 . . . . 0.0 109.132 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.81 145.8 28.67 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.437 -0.79 . . . . 0.0 108.904 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' GLU . 92.3 m-85 -113.18 140.09 48.22 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.409 -0.807 . . . . 0.0 110.198 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' PHE . 71.7 mm-40 36.7 73.36 0.09 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.36 0.6 . . . . 0.0 110.724 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 32' ' ' VAL . 3.7 m -86.86 123.77 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.163 -0.961 . . . . 0.0 109.642 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -81.52 117.31 21.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.068 -1.02 . . . . 0.0 109.591 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -137.52 137.33 38.51 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.146 -0.971 . . . . 0.0 109.452 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.44 141.9 50.26 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.438 -0.789 . . . . 0.0 109.963 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.519 ' NZ ' ' OD1' ' A' ' 14' ' ' ASP . 7.9 mtmp? -73.78 -13.72 60.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.826 . . . . 0.0 109.877 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -78.48 -1.32 33.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.325 -0.859 . . . . 0.0 109.405 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.67 142.6 35.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.193 -0.942 . . . . 0.0 110.138 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 p -86.93 169.39 12.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.253 -0.904 . . . . 0.0 109.587 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.36 -43.13 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 0.0 109.219 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.85 79.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.08 -1.013 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -64.92 -39.48 93.58 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.341 -0.849 . . . . 0.0 109.276 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.9 -41.3 99.39 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.351 -0.843 . . . . 0.0 109.413 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.03 -38.8 87.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 0.0 109.473 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.9 m -60.09 -47.51 85.59 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.188 -0.945 . . . . 0.0 109.899 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.18 -42.14 96.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.947 -1.096 . . . . 0.0 109.318 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.41 -38.66 92.0 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.278 -0.889 . . . . 0.0 108.77 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' GLY . 84.6 tt0 -53.98 -44.64 70.99 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.35 -0.843 . . . . 0.0 109.115 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 31.8 mm -67.79 -44.01 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.057 -1.027 . . . . 0.0 109.921 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.94 -43.49 87.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.075 -1.016 . . . . 0.0 111.227 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 53' ' ' GLY . 44.5 p -93.52 -14.97 25.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.864 -1.147 . . . . 0.0 109.912 -178.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.18 0.43 7.56 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -73.8 -174.44 29.72 Favored Glycine 0 N--CA 1.494 2.559 0 O-C-N 121.417 -1.049 . . . . 0.0 110.876 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.444 ' HG ' ' H ' ' A' ' 56' ' ' GLY . 7.3 t -95.69 124.46 39.72 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.556 -0.967 . . . . 0.0 109.538 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.08 -13.69 61.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.277 -0.889 . . . . 0.0 110.098 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.444 ' H ' ' HG ' ' A' ' 54' ' ' CYS . . . -75.12 -5.42 76.14 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -140.46 7.63 2.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.249 -1.147 . . . . 0.0 108.814 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.1 ttm -77.96 136.15 37.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.034 -1.042 . . . . 0.0 109.938 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -116.77 145.78 43.27 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.643 -0.661 . . . . 0.0 109.358 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.0 t -117.76 133.23 65.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -133.03 139.15 47.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.235 -0.915 . . . . 0.0 109.619 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.3 t -95.96 131.46 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.861 . . . . 0.0 109.212 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -129.46 141.16 51.08 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.483 -0.76 . . . . 0.0 109.297 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -130.32 82.06 2.04 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.65 -98.38 2.38 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -130.67 30.68 4.63 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.433 -1.039 . . . . 0.0 109.134 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.9 t -144.39 153.79 42.32 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.091 -1.005 . . . . 0.0 109.917 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.6 m -93.06 134.34 35.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.372 -0.83 . . . . 0.0 109.632 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 t -91.2 -51.67 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 109.364 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.2 t -172.75 164.66 5.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.194 -0.941 . . . . 0.0 109.64 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.4 m -113.11 128.45 56.49 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.545 -0.722 . . . . 0.0 109.056 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.4 mtt -71.7 81.48 0.85 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 109.929 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 39.4 p-10 -95.48 -18.64 20.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.158 -0.963 . . . . 0.0 109.518 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 52.2 t-20 -90.28 111.09 22.16 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.062 -1.024 . . . . 0.0 110.174 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.95 -26.79 62.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.279 -0.888 . . . . 0.0 109.85 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 93.1 m-20 -81.14 -2.26 47.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.163 -0.96 . . . . 0.0 109.535 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.78 155.47 23.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.134 -0.979 . . . . 0.0 109.977 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -89.81 163.7 14.94 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.381 -0.824 . . . . 0.0 110.232 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.7 tp -62.98 -42.48 99.85 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.489 -0.757 . . . . 0.0 109.644 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.21 -1.61 50.58 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -62.63 -44.66 95.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.235 -1.156 . . . . 0.0 109.44 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -105.95 -32.11 8.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.327 -0.858 . . . . 0.0 109.636 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.36 80.35 1.69 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.367 -0.833 . . . . 0.0 109.145 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -95.08 5.81 50.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.242 -0.911 . . . . 0.0 108.897 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 90.6 p -137.03 153.36 50.65 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.349 -0.845 . . . . 0.0 110.069 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.39 168.84 13.45 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.389 -0.819 . . . . 0.0 110.376 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.32 -2.04 84.79 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.46 154.78 36.82 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.353 -1.087 . . . . 0.0 109.556 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -120.22 126.01 49.57 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -102.31 133.86 46.54 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.336 -0.852 . . . . 0.0 109.022 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -115.62 123.47 48.48 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.485 -0.76 . . . . 0.0 109.119 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.84 131.81 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.385 -0.822 . . . . 0.0 108.9 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -118.92 124.55 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.443 -0.786 . . . . 0.0 109.02 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.436 ' O ' ' OG ' ' A' ' 95' ' ' SER . 97.6 m-20 -118.65 140.72 49.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.58 -0.7 . . . . 0.0 109.69 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 94' ' ' ASP . 4.8 p . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.772 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.272 0.558 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.601 ' CD1' ' NZ ' ' A' ' 33' ' ' LYS . 49.1 m-85 -127.25 140.49 52.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.645 -0.659 . . . . 0.0 109.883 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.6 pt -128.58 153.88 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -115.83 119.74 36.98 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.642 0.734 . . . . 0.0 109.219 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.17 164.72 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.486 -0.759 . . . . 0.0 109.423 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -93.41 144.19 25.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.425 -0.797 . . . . 0.0 109.516 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.8 t -123.2 133.22 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 CA-C-O 121.481 0.658 . . . . 0.0 109.347 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.0 p -139.12 163.99 30.97 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -147.99 163.64 36.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 0.0 109.82 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -68.52 147.18 52.36 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.542 -0.723 . . . . 0.0 110.319 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 25' ' ' ASN . 59.8 m80 58.93 172.8 0.07 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.438 0.637 . . . . 0.0 110.338 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' HIS . 98.9 m-20 57.95 147.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.635 0.731 . . . . 0.0 110.636 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -94.95 2.8 55.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.331 -0.855 . . . . 0.0 108.827 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 107.18 0.6 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 109.662 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -130.47 134.17 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.511 -0.743 . . . . 0.0 109.739 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.63 153.48 22.83 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.609 -0.682 . . . . 0.0 109.182 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -128.38 151.03 49.82 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.76 0.791 . . . . 0.0 110.619 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 41.29 60.9 1.94 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.294 0.568 . . . . 0.0 110.78 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -78.1 127.72 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 121.037 -1.039 . . . . 0.0 109.625 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.601 ' NZ ' ' CD1' ' A' ' 15' ' ' PHE . 65.2 tttm -88.78 116.39 27.01 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 110.08 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.9 mt -134.94 135.57 41.6 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.54 -0.725 . . . . 0.0 109.351 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 143.77 52.77 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.726 0.774 . . . . 0.0 109.987 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.63 -30.25 70.48 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.666 -0.646 . . . . 0.0 109.799 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.96 -0.67 9.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.593 -0.692 . . . . 0.0 109.962 -178.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.9 mt -75.74 136.89 40.31 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.036 -1.04 . . . . 0.0 109.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.7 p -86.44 167.89 14.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.461 -0.774 . . . . 0.0 110.279 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.24 -43.86 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.647 -0.658 . . . . 0.0 109.913 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.57 95.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.08 -1.012 . . . . 0.0 109.362 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -64.71 -37.91 89.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 0.0 109.212 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -63.16 -40.17 96.76 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.324 -0.86 . . . . 0.0 109.423 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.17 -38.81 90.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.873 . . . . 0.0 109.642 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -60.05 -45.51 92.63 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.143 -0.973 . . . . 0.0 109.066 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.25 -43.2 98.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.866 . . . . 0.0 109.024 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.12 -38.84 91.93 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.476 -0.765 . . . . 0.0 109.382 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 52' ' ' GLY . 83.6 tt0 -53.43 -47.68 69.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.929 . . . . 0.0 109.429 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.43 -43.66 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.135 -0.978 . . . . 0.0 109.068 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.6 -42.11 98.27 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.499 -0.75 . . . . 0.0 110.292 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.553 ' C ' ' H ' ' A' ' 53' ' ' GLY . 59.0 p -92.18 -16.72 25.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 109.285 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.89 -8.77 0.81 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.553 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -75.4 -173.1 32.74 Favored Glycine 0 N--CA 1.492 2.413 0 O-C-N 121.278 -1.131 . . . . 0.0 110.915 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.5 t -87.64 126.07 34.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.492 -1.005 . . . . 0.0 109.957 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.69 85.19 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.535 0.683 . . . . 0.0 109.842 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.55 97.38 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.1 m -91.6 -2.18 57.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.019 -1.283 . . . . 0.0 109.215 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttm -81.98 142.47 32.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.352 -0.843 . . . . 0.0 109.752 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -128.08 143.35 51.06 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.594 -0.691 . . . . 0.0 109.15 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.0 t -113.09 133.55 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 109.474 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -133.45 151.19 51.76 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.617 -0.677 . . . . 0.0 109.197 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.3 t -102.85 127.63 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.605 -0.685 . . . . 0.0 109.34 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -134.97 147.28 49.7 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.563 0.697 . . . . 0.0 109.65 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -133.0 80.41 1.89 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.08 -93.21 1.87 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 59.0 t0 -136.28 18.91 3.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.382 -1.069 . . . . 0.0 108.8 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.3 m -124.23 132.14 53.57 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 121.702 0.763 . . . . 0.0 110.266 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.1 t -80.56 134.04 35.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.602 -0.686 . . . . 0.0 110.365 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.8 t -98.2 -61.97 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.427 -0.796 . . . . 0.0 109.257 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.0 p -168.33 163.78 12.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.733 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.1 m -111.72 127.15 55.69 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.529 -0.732 . . . . 0.0 109.752 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.9 mtt -64.08 82.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.608 0.718 . . . . 0.0 110.385 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.9 t0 -96.98 -24.78 15.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.426 -0.796 . . . . 0.0 109.114 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -85.14 105.5 15.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.198 -0.939 . . . . 0.0 110.48 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.02 -32.91 73.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.582 -0.699 . . . . 0.0 109.22 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -74.26 -2.58 25.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.555 -0.716 . . . . 0.0 109.542 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.46 153.15 22.09 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.23 -0.919 . . . . 0.0 110.719 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -85.97 161.35 19.04 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.634 0.73 . . . . 0.0 110.664 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.6 tp -64.31 -42.43 96.34 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.534 -0.729 . . . . 0.0 109.535 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.93 -4.47 58.89 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -63.01 -45.77 90.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.474 -1.015 . . . . 0.0 109.533 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -104.87 -28.66 10.99 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.42 -0.8 . . . . 0.0 109.321 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.32 68.46 0.81 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.399 -0.813 . . . . 0.0 109.132 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -91.37 5.2 50.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.404 -0.81 . . . . 0.0 109.142 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 71.5 m -136.19 147.24 47.57 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.338 -0.851 . . . . 0.0 109.784 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -85.93 170.15 12.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.576 -0.702 . . . . 0.0 110.374 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.29 -3.28 86.73 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.32 159.56 30.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.21 -1.171 . . . . 0.0 110.146 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -122.37 127.41 49.71 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 121.588 0.708 . . . . 0.0 109.229 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -104.84 136.95 43.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.628 -0.67 . . . . 0.0 109.194 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -118.91 131.76 56.06 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.669 -0.645 . . . . 0.0 109.483 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.7 t -106.14 130.66 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.7 t -111.67 113.22 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -127.86 107.31 9.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.658 -0.651 . . . . 0.0 109.543 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.115 -0.945 . . . . 0.0 108.871 179.656 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.498 1.946 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -124.44 150.15 45.99 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 pt -126.27 150.73 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.581 -0.699 . . . . 0.0 109.464 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -95.75 114.23 25.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.449 -0.782 . . . . 0.0 109.159 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.36 163.27 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.466 -0.771 . . . . 0.0 109.613 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -106.16 144.89 32.21 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.86 133.33 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.481 -0.762 . . . . 0.0 108.978 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.4 p -142.77 163.09 33.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.292 -0.88 . . . . 0.0 109.492 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -132.95 155.82 48.41 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.329 -0.857 . . . . 0.0 109.634 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.533 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 40.4 m -84.61 -75.02 0.36 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.477 -0.765 . . . . 0.0 109.601 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -63.46 -44.31 94.86 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.9 . . . . 0.0 109.72 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -79.07 155.65 28.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.965 . . . . 0.0 109.847 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -108.27 19.01 20.42 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.89 112.8 17.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.126 -0.984 . . . . 0.0 108.986 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.1 t -126.12 131.56 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.542 -0.724 . . . . 0.0 109.238 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.25 130.27 56.86 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' GLU . 96.0 m-85 -99.85 145.12 28.11 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.396 -0.815 . . . . 0.0 110.485 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' PHE . 6.6 mt-10 38.69 61.36 1.21 Allowed 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.264 0.554 . . . . 0.0 109.99 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.7 p -94.25 129.99 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.092 -1.005 . . . . 0.0 109.64 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -83.61 130.44 34.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 0.0 110.037 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.2 mt -135.79 131.74 35.84 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.05 132.97 48.96 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.277 -0.89 . . . . 0.0 109.607 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -75.55 -14.98 60.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.566 -0.709 . . . . 0.0 109.462 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.14 -2.8 49.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.42 -0.8 . . . . 0.0 109.833 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.3 mt -78.93 145.79 33.85 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 110.17 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 p -84.45 169.11 14.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.403 -0.81 . . . . 0.0 110.107 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.462 ' CG1' ' NZ ' ' A' ' 44' ' ' LYS . 48.1 t -61.67 -44.92 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.464 -0.773 . . . . 0.0 109.349 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.71 80.67 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.273 -0.892 . . . . 0.0 109.146 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.07 -38.59 91.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.23 -0.919 . . . . 0.0 109.18 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.39 -42.08 99.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.329 -0.857 . . . . 0.0 109.547 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.462 ' NZ ' ' CG1' ' A' ' 40' ' ' VAL . 60.2 mttp -61.17 -39.49 90.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.132 -0.98 . . . . 0.0 109.633 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.0 m -60.01 -47.03 87.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.115 -0.991 . . . . 0.0 109.036 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -63.25 -43.13 98.9 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.266 -0.896 . . . . 0.0 109.173 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.41 -38.6 91.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.326 -0.859 . . . . 0.0 109.128 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 52' ' ' GLY . 47.1 tp10 -53.57 -45.67 70.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.506 -0.746 . . . . 0.0 109.541 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.416 HG22 HD12 ' A' ' 49' ' ' ILE . 30.9 mm -64.82 -47.14 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.024 -1.048 . . . . 0.0 109.91 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.71 -42.22 86.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.275 -0.891 . . . . 0.0 110.98 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.9 p -87.31 -33.44 19.21 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.886 -1.134 . . . . 0.0 109.867 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 71.92 6.55 64.09 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.465 ' O ' ' OE2' ' A' ' 48' ' ' GLU . . . -77.83 -128.18 0.42 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.521 ' HG ' ' H ' ' A' ' 57' ' ' THR . 8.4 t -135.81 123.82 22.83 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.485 -1.009 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.07 -39.48 82.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 110.172 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.96 -43.94 70.53 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.163 -1.017 . . . . 0.0 110.905 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.521 ' H ' ' HG ' ' A' ' 54' ' ' CYS . 2.3 m -86.09 -1.79 57.72 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.818 -1.401 . . . . 0.0 110.145 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.458 ' SD ' ' O ' ' A' ' 54' ' ' CYS . 24.1 mtp -86.2 146.64 26.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.212 -0.93 . . . . 0.0 110.357 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -132.19 117.81 18.73 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.7 t -101.74 133.58 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.45 140.99 49.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.584 -0.698 . . . . 0.0 109.233 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -91.18 132.09 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.41 -0.806 . . . . 0.0 109.389 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.65 145.81 51.05 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.905 0.859 . . . . 0.0 109.977 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -143.47 90.9 2.2 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.54 -129.06 13.6 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.2 p30 -97.03 10.59 38.84 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.237 -1.154 . . . . 0.0 110.201 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.1 m -125.35 130.84 52.74 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.354 -0.841 . . . . 0.0 109.639 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 p -86.67 123.86 32.31 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.332 -0.855 . . . . 0.0 109.557 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' SER . 69.4 t -64.46 -46.3 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.188 -0.945 . . . . 0.0 109.658 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 163.9 171.85 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.487 -0.758 . . . . 0.0 109.068 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.6 m -108.93 135.75 49.61 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.462 -0.774 . . . . 0.0 109.207 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.3 mtt -75.72 124.1 26.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.35 -0.844 . . . . 0.0 109.53 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -140.12 -27.95 0.74 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.544 -0.722 . . . . 0.0 109.976 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -87.91 110.34 20.47 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.091 -1.006 . . . . 0.0 110.317 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.435 ' C ' ' H ' ' A' ' 77' ' ' ALA . 54.4 t-20 -64.98 -36.17 83.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.457 -0.777 . . . . 0.0 109.443 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.92 -1.01 1.75 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.254 -0.904 . . . . 0.0 109.636 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 75' ' ' ASN . . . -92.97 148.73 21.76 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.225 -0.922 . . . . 0.0 109.589 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -89.13 161.36 16.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.314 -0.866 . . . . 0.0 110.188 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.35 -41.86 98.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.445 -0.785 . . . . 0.0 109.524 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.12 -4.62 56.45 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -62.11 -45.77 92.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.247 -1.149 . . . . 0.0 109.124 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -105.09 -28.59 10.93 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.47 -0.769 . . . . 0.0 109.591 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.63 72.9 0.93 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.454 -0.779 . . . . 0.0 109.455 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.5 p30 -101.84 12.13 37.52 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.4 -0.812 . . . . 0.0 109.386 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.1 t -138.12 147.45 43.97 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.453 -0.779 . . . . 0.0 109.514 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -82.58 166.54 19.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.838 . . . . 0.0 110.132 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.88 -1.98 83.81 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.5 mt -76.93 155.58 32.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.309 -1.112 . . . . 0.0 109.489 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -123.07 134.18 54.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.564 -0.71 . . . . 0.0 109.449 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.4 mt -105.28 127.62 53.04 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.533 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 79.3 t60 -114.06 117.82 32.35 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.618 -0.676 . . . . 0.0 109.64 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -87.19 124.42 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.8 t -111.13 109.95 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.587 -0.696 . . . . 0.0 109.188 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -99.49 112.58 24.76 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.539 -0.726 . . . . 0.0 109.489 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.488 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.195 0.521 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -141.08 146.88 37.7 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.439 -0.788 . . . . 0.0 109.485 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.0 pt -138.04 160.73 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.469 -0.769 . . . . 0.0 109.485 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -109.58 122.23 46.97 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -136.87 161.91 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.443 -0.785 . . . . 0.0 109.289 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -102.7 144.77 30.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.685 . . . . 0.0 109.433 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.9 t -121.23 131.42 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.8 t -135.47 149.42 49.55 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.0 p30 -133.85 151.88 51.68 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.279 -0.888 . . . . 0.0 109.565 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 25' ' ' ASN . 16.8 p -77.22 168.85 19.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.629 -0.669 . . . . 0.0 110.116 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.9 m80 57.91 -70.79 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 121.205 0.526 . . . . 0.0 110.587 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 23' ' ' SER . 99.8 m-20 -62.04 143.44 56.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.276 -0.89 . . . . 0.0 110.47 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -94.11 3.81 54.77 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.483 -0.761 . . . . 0.0 109.05 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.32 116.3 12.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -0.779 . . . . 0.0 109.768 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.24 133.55 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.47 137.69 44.01 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -114.0 147.11 39.18 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.493 -0.755 . . . . 0.0 110.816 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 43.7 68.56 0.51 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.719 -0.613 . . . . 0.0 110.778 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.91 123.41 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -83.79 118.18 23.76 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.155 -0.965 . . . . 0.0 109.83 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.2 mt -135.23 134.31 39.91 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.531 -0.731 . . . . 0.0 109.222 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 141.35 53.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.42 -0.8 . . . . 0.0 109.653 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -70.8 -14.7 62.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.47 -0.769 . . . . 0.0 109.929 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -80.87 -0.36 38.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.487 -0.758 . . . . 0.0 109.944 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.42 143.73 38.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.173 -0.954 . . . . 0.0 109.997 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.6 p -86.15 165.47 16.54 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.615 0.722 . . . . 0.0 110.161 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.86 -43.78 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.679 -0.638 . . . . 0.0 109.35 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.63 89.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.469 -0.77 . . . . 0.0 109.506 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -64.11 -37.21 86.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.321 -0.862 . . . . 0.0 109.093 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.27 -41.06 98.15 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.48 -37.65 81.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.407 -0.808 . . . . 0.0 109.261 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.5 m -59.62 -47.71 84.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.341 -0.849 . . . . 0.0 109.284 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.88 -43.41 98.87 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.426 -0.796 . . . . 0.0 109.065 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.18 -39.6 94.34 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.1 tt0 -50.79 -49.58 58.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.392 -0.817 . . . . 0.0 109.011 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.39 -43.31 94.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.362 -0.836 . . . . 0.0 109.845 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -45.26 93.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.379 -0.826 . . . . 0.0 110.253 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.546 ' C ' ' H ' ' A' ' 53' ' ' GLY . 34.2 p -93.78 -14.33 26.34 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.84 -1.162 . . . . 0.0 109.648 -179.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.62 -6.37 1.34 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.546 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -72.48 -178.32 32.61 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.6 t -86.71 126.17 34.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.556 -0.967 . . . . 0.0 110.008 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.39 -35.68 81.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.534 -0.729 . . . . 0.0 109.989 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.16 -35.23 91.22 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.3 p -97.76 1.05 47.99 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.201 -1.176 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.0 ttm -81.71 141.16 33.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.81 . . . . 0.0 109.909 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -125.01 144.08 50.57 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.0 t -115.39 131.41 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -131.98 130.01 40.91 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.23 133.3 30.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 109.514 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -126.66 137.02 53.23 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.526 0.679 . . . . 0.0 109.331 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -131.35 89.6 2.74 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.64 -108.41 3.6 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -121.69 -4.54 9.21 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.67 -0.9 . . . . 0.0 109.981 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.3 m -121.69 140.2 52.6 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.527 -0.733 . . . . 0.0 110.564 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -75.02 147.06 41.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.74 -0.6 . . . . 0.0 109.442 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 m -106.87 -45.3 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.531 -0.731 . . . . 0.0 109.729 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.0 p -162.79 162.54 26.65 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.138 -0.976 . . . . 0.0 109.824 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ASP . 90.3 m -117.2 130.4 56.56 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 mtt -62.7 69.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.44 -0.787 . . . . 0.0 110.403 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' THR . 99.7 m-20 -64.66 -39.4 93.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.495 -0.753 . . . . 0.0 109.633 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -86.08 112.35 21.19 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.426 -0.796 . . . . 0.0 109.888 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 55.4 p30 -74.73 -14.15 60.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.422 -0.799 . . . . 0.0 109.689 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 94.7 m-20 -89.31 -1.97 58.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.354 -0.841 . . . . 0.0 109.534 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.63 156.16 32.91 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.327 -0.858 . . . . 0.0 110.033 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -85.64 162.14 18.95 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.56 -0.712 . . . . 0.0 110.287 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.1 -42.36 99.57 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.647 -0.658 . . . . 0.0 109.948 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.24 -5.03 75.44 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -62.86 -44.33 96.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -1.182 . . . . 0.0 109.205 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -101.85 -45.54 5.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.403 -0.811 . . . . 0.0 109.792 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.89 86.44 5.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.24 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER -102.15 8.58 40.63 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.5 t -135.98 146.92 47.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.465 -0.772 . . . . 0.0 109.353 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -81.14 166.81 20.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.495 -0.753 . . . . 0.0 110.611 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.56 -8.13 80.28 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.0 mt -78.06 158.59 29.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.461 -1.023 . . . . 0.0 109.679 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -130.66 143.89 51.05 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -107.72 126.12 52.22 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.549 -0.719 . . . . 0.0 109.285 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -98.08 128.09 44.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.468 -0.77 . . . . 0.0 109.366 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.4 131.06 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.487 -0.758 . . . . 0.0 108.991 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.8 t -115.16 130.08 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.606 -0.684 . . . . 0.0 109.22 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -126.15 108.05 10.96 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 121.392 0.615 . . . . 0.0 109.553 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.169 179.687 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.2 t0 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.061 0.458 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -112.65 144.21 42.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.496 -0.753 . . . . 0.0 109.363 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.404 HG23 HD13 ' A' ' 16' ' ' ILE . 40.3 pt -125.57 155.05 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.526 -0.734 . . . . 0.0 109.585 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -105.4 117.52 34.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.505 -0.747 . . . . 0.0 109.51 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -136.48 163.61 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.44 -0.787 . . . . 0.0 109.096 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -101.39 144.61 29.99 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.526 -0.734 . . . . 0.0 109.287 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.48 135.5 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 121.34 -0.85 . . . . 0.0 109.081 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.8 t -134.55 175.28 9.68 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 27' ' ' ALA . 2.4 p30 -146.64 162.06 39.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.191 -0.943 . . . . 0.0 109.568 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -88.74 -76.72 0.39 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.56 -0.713 . . . . 0.0 110.51 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -60.64 -47.21 87.23 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.336 -0.852 . . . . 0.0 110.362 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 60.2 t-20 -75.41 144.61 42.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 0.0 110.433 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 52.0 t0 -97.3 1.95 50.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.357 -0.839 . . . . 0.0 109.266 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.507 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . -69.79 130.74 43.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.368 -0.833 . . . . 0.0 109.84 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.22 134.61 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.388 -0.82 . . . . 0.0 109.804 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.38 140.26 44.77 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -117.29 146.79 43.09 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.519 -0.738 . . . . 0.0 110.468 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 40.08 67.65 0.46 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.825 -0.547 . . . . 0.0 110.264 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.41 123.87 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.575 -0.703 . . . . 0.0 109.412 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -78.13 131.01 37.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.267 -0.896 . . . . 0.0 110.361 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.5 mt -138.86 125.13 20.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.371 -0.83 . . . . 0.0 108.94 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.35 138.82 58.62 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.379 -0.826 . . . . 0.0 109.593 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -75.94 -15.03 60.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.605 -0.684 . . . . 0.0 109.491 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -80.91 0.31 35.85 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.397 -0.815 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -76.58 144.08 39.86 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.261 -0.899 . . . . 0.0 110.655 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.1 p -88.15 164.71 15.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.541 -0.724 . . . . 0.0 109.952 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.78 -44.55 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.451 -0.78 . . . . 0.0 110.033 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.48 94.44 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.125 -0.984 . . . . 0.0 109.863 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.97 -36.45 83.36 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.328 -0.857 . . . . 0.0 109.164 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.64 -41.57 99.11 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.489 -0.757 . . . . 0.0 109.263 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.18 -40.31 95.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.397 -0.815 . . . . 0.0 109.803 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.8 m -61.04 -46.41 90.8 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.132 -0.98 . . . . 0.0 109.885 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -62.92 -46.75 86.33 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.183 -0.948 . . . . 0.0 109.4 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.71 -38.55 91.38 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.422 -0.799 . . . . 0.0 109.195 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' GLY . 38.2 tt0 -51.15 -51.12 56.65 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.343 -0.848 . . . . 0.0 109.648 -179.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.46 -42.67 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.347 -0.845 . . . . 0.0 110.227 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.44 -41.61 98.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.117 -0.99 . . . . 0.0 110.201 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.521 ' C ' ' H ' ' A' ' 53' ' ' GLY . 16.1 p -91.93 -12.6 32.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.984 -1.072 . . . . 0.0 108.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.42 -8.48 1.51 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -71.03 176.4 37.12 Favored Glycine 0 N--CA 1.492 2.378 0 O-C-N 121.345 -1.091 . . . . 0.0 110.553 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.94 126.19 34.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.545 -0.973 . . . . 0.0 109.36 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.91 72.52 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.347 -0.846 . . . . 0.0 110.157 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.37 -35.54 91.56 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.6 p -98.72 -10.71 22.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.281 -1.129 . . . . 0.0 109.652 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.2 ttp -86.9 128.77 35.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.148 -0.97 . . . . 0.0 109.523 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -113.9 150.6 33.43 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.573 -0.704 . . . . 0.0 109.466 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.1 t -115.23 132.89 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -134.27 147.0 50.57 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.7 132.77 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.272 -0.893 . . . . 0.0 109.423 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -127.02 138.62 53.27 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.777 0.799 . . . . 0.0 109.781 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -141.36 101.34 3.98 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.03 -102.4 2.39 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -131.42 -3.6 3.81 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.514 -0.992 . . . . 0.0 109.585 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.0 m -116.41 139.36 50.51 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.571 -0.706 . . . . 0.0 110.59 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.75 120.35 21.8 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.442 -0.786 . . . . 0.0 109.778 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.08 -48.74 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.11 -0.994 . . . . 0.0 109.687 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.6 p -173.77 164.28 4.31 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.414 -0.804 . . . . 0.0 109.412 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.7 m -113.38 126.55 55.48 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.53 -0.732 . . . . 0.0 109.072 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.8 mtt -63.84 83.96 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.238 -0.914 . . . . 0.0 110.056 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 47.4 t0 -95.78 -24.2 16.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.328 -0.857 . . . . 0.0 109.542 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.03 112.73 21.51 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.27 -0.894 . . . . 0.0 110.384 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -74.84 -18.86 60.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.373 -0.829 . . . . 0.0 109.758 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -91.01 -1.83 57.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.322 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.81 152.31 24.69 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.352 -0.842 . . . . 0.0 110.25 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -89.88 159.98 16.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 0.0 109.99 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.03 -42.04 99.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.407 -0.808 . . . . 0.0 110.303 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.23 -21.97 68.71 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 120.25 -0.976 . . . . 0.0 111.223 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.62 -49.08 78.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.871 -1.37 . . . . 0.0 110.4 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -83.08 -44.01 15.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.153 -0.967 . . . . 0.0 110.304 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.24 138.84 36.75 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.302 -0.874 . . . . 0.0 109.95 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -155.28 22.6 0.42 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.6 t -151.56 148.65 28.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.287 -0.883 . . . . 0.0 109.767 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.1 p30 -84.25 162.2 20.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.256 -0.903 . . . . 0.0 110.232 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.86 -4.1 78.28 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.29 153.82 37.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.369 -1.077 . . . . 0.0 109.72 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -124.3 129.84 51.46 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.701 -0.625 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.3 mt -104.2 125.37 50.44 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.45 -0.781 . . . . 0.0 109.016 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -100.98 129.27 46.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.334 -0.853 . . . . 0.0 109.341 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.9 t -103.76 128.11 57.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.473 -0.767 . . . . 0.0 109.097 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.0 t -106.25 109.91 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -97.8 110.46 23.02 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.261 -0.9 . . . . 0.0 110.171 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 117.849 -1.072 . . . . 0.0 108.709 179.689 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 t0 . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -126.78 140.89 52.03 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.562 ' CG1' ' HZ1' ' A' ' 36' ' ' LYS . 41.9 pt -132.25 164.46 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.617 -0.677 . . . . 0.0 109.872 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 52.8 mtmt -101.33 123.92 46.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.551 -0.718 . . . . 0.0 109.787 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -138.89 161.91 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.635 -0.666 . . . . 0.0 109.269 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -101.73 140.65 35.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.565 -0.709 . . . . 0.0 109.114 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.0 t -126.31 132.52 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-O 121.42 0.628 . . . . 0.0 109.372 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 m -130.68 154.74 47.61 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -136.53 140.85 43.28 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.812 0.815 . . . . 0.0 109.84 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.62 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 29.2 t -72.35 161.73 30.44 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.355 0.598 . . . . 0.0 110.559 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.62 ' CD2' ' HG ' ' A' ' 23' ' ' SER . 36.2 m-70 65.64 -65.37 0.17 Allowed 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.15 0.5 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 23' ' ' SER . 63.7 t-20 -66.2 140.29 58.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.278 -0.889 . . . . 0.0 110.37 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 96.1 m-20 -89.5 -3.05 58.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.478 -0.764 . . . . 0.0 109.14 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.86 130.11 40.25 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.254 -0.904 . . . . 0.0 109.227 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.3 t -134.85 134.99 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.434 -0.791 . . . . 0.0 109.524 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.57 146.41 29.67 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.644 -0.66 . . . . 0.0 109.232 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -130.36 150.17 51.71 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.653 0.74 . . . . 0.0 110.42 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 43.28 49.33 5.84 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.358 0.599 . . . . 0.0 110.17 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.1 p -85.66 122.17 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.278 -0.889 . . . . 0.0 109.271 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -76.71 127.22 32.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.262 -0.899 . . . . 0.0 109.994 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -134.72 133.05 39.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.577 -0.702 . . . . 0.0 109.431 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.72 139.01 51.02 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.713 0.768 . . . . 0.0 110.04 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HZ1' ' CG1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -76.75 -16.76 59.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.619 -0.675 . . . . 0.0 109.983 -179.799 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -81.77 -1.62 47.84 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.339 -0.851 . . . . 0.0 109.447 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -77.72 144.22 37.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.145 -0.972 . . . . 0.0 110.392 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 p -85.13 170.16 13.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.51 -0.744 . . . . 0.0 110.082 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.06 -43.45 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.94 81.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.376 -0.828 . . . . 0.0 109.522 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -66.24 -39.05 89.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.314 -0.866 . . . . 0.0 109.122 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.7 tp -62.55 -42.4 99.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.467 -0.771 . . . . 0.0 109.429 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.68 -37.71 85.1 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.478 -0.764 . . . . 0.0 109.417 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.0 m -61.04 -46.78 89.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.342 -0.849 . . . . 0.0 109.369 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.27 -43.43 94.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 108.982 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 99.9 mt -64.93 -38.12 89.9 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.563 -0.711 . . . . 0.0 109.099 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 52' ' ' GLY . 42.0 tt0 -54.14 -47.94 71.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.54 -0.725 . . . . 0.0 109.38 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.87 -43.24 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.319 -0.863 . . . . 0.0 109.491 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.7 mt -63.31 -41.4 98.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.498 -0.751 . . . . 0.0 110.36 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.553 ' C ' ' H ' ' A' ' 53' ' ' GLY . 12.1 p -93.81 -14.15 26.5 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.105 -0.997 . . . . 0.0 109.205 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 64.41 -5.21 1.11 Allowed Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.553 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -76.77 -174.91 40.45 Favored Glycine 0 N--CA 1.489 2.192 0 O-C-N 121.324 -1.104 . . . . 0.0 110.722 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -89.61 127.2 35.87 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.557 -0.967 . . . . 0.0 109.374 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.39 -34.37 77.58 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.608 -0.683 . . . . 0.0 109.868 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.97 -36.27 93.06 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.3 p -96.9 -10.35 26.61 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.973 -1.31 . . . . 0.0 109.505 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttp -86.73 126.94 34.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.195 -0.941 . . . . 0.0 109.934 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -108.58 149.01 29.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.548 -0.72 . . . . 0.0 109.583 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.65 132.32 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -130.77 138.2 49.82 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.5 t -90.51 132.66 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.548 -0.72 . . . . 0.0 109.583 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -124.81 146.55 49.19 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.954 0.883 . . . . 0.0 109.772 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -147.25 99.24 3.12 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.13 -130.77 22.15 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 36.3 p-10 -99.53 10.95 40.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.48 -1.012 . . . . 0.0 109.202 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -127.27 133.81 50.13 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.549 -0.719 . . . . 0.0 110.02 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 m -83.67 128.04 34.23 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.434 -0.791 . . . . 0.0 110.206 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' SER . 93.8 t -66.7 -44.32 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.524 -0.735 . . . . 0.0 109.327 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.5 m 164.2 171.61 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.476 -0.765 . . . . 0.0 109.712 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.7 m -111.93 130.7 55.75 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.459 0.647 . . . . 0.0 109.396 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -66.34 105.74 1.52 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 110.253 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -111.96 -29.56 7.59 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -87.88 107.91 18.91 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.309 -0.869 . . . . 0.0 110.023 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.04 -35.09 77.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.695 -0.628 . . . . 0.0 110.002 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -73.45 -1.01 16.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.285 -0.884 . . . . 0.0 110.018 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.02 157.27 20.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.099 -1.001 . . . . 0.0 110.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -86.09 157.97 19.92 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.677 0.751 . . . . 0.0 110.665 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.75 -41.9 99.42 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.702 -0.624 . . . . 0.0 109.689 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.91 -3.66 30.2 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -63.58 -44.09 95.07 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.207 -1.172 . . . . 0.0 109.219 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.93 -28.13 11.29 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.61 74.51 1.08 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.604 -0.685 . . . . 0.0 109.332 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -103.44 11.07 36.92 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.2 t -135.78 145.81 46.93 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.493 -0.755 . . . . 0.0 109.848 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 17' ' ' LYS . 29.0 t70 -83.27 158.56 22.2 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.53 0.681 . . . . 0.0 110.782 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.71 9.39 71.78 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.9 mt -79.23 155.33 28.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.405 -1.056 . . . . 0.0 110.438 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -120.44 128.64 53.36 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.1 mt -106.21 127.97 53.6 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -105.02 113.46 27.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.619 -0.676 . . . . 0.0 109.327 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.9 t -89.81 129.37 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.374 -0.829 . . . . 0.0 109.23 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.21 102.94 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.65 -0.656 . . . . 0.0 109.506 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.409 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 55.0 t0 -98.95 112.34 24.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.469 -0.769 . . . . 0.0 109.699 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 118.103 -0.951 . . . . 0.0 108.792 179.683 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.513 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -124.58 159.55 30.43 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.831 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.0 pt -125.1 159.84 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.58 -0.7 . . . . 0.0 109.502 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -95.91 117.99 31.67 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.467 -0.77 . . . . 0.0 109.192 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -141.42 163.72 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.374 -0.829 . . . . 0.0 109.732 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -109.08 148.43 30.84 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.6 t -122.36 131.99 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.339 -0.851 . . . . 0.0 108.971 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.7 m -131.34 158.06 41.7 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.682 HD21 HD22 ' A' ' 25' ' ' ASN . 58.3 t-20 -132.86 132.23 41.87 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.479 -0.763 . . . . 0.0 109.535 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 11.4 t -62.07 -42.96 99.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.618 -0.676 . . . . 0.0 109.757 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.532 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 42.2 m80 -74.87 -98.31 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.281 -0.887 . . . . 0.0 110.874 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.682 HD22 HD21 ' A' ' 22' ' ' ASN . 21.1 p30 -55.85 156.71 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 110.22 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 34.5 p-10 -89.47 4.74 48.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.543 -0.723 . . . . 0.0 109.266 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.23 111.43 0.96 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.279 -0.888 . . . . 0.0 109.154 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.7 t -124.94 132.42 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.547 -0.721 . . . . 0.0 109.29 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.92 136.85 41.99 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -113.07 134.83 54.35 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.517 -0.739 . . . . 0.0 110.123 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 54.4 50.9 15.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.664 -0.647 . . . . 0.0 110.741 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 8.5 p -91.82 122.55 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.058 -1.026 . . . . 0.0 108.466 178.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -90.36 137.67 32.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.16 -0.963 . . . . 0.0 110.002 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.2 mt -136.45 143.33 43.82 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.434 -0.791 . . . . 0.0 109.406 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.73 132.46 43.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 0.0 109.597 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' A' ' 38' ' ' LEU . 54.0 mtmt -65.32 -38.53 90.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.4 -0.812 . . . . 0.0 110.22 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -61.33 1.22 0.21 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.473 -0.767 . . . . 0.0 110.269 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 36' ' ' LYS . 98.7 mt -76.88 142.8 40.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.124 -0.985 . . . . 0.0 109.555 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.411 ' OG1' ' OE1' ' A' ' 42' ' ' GLN . 12.4 p -84.88 164.14 18.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.357 -0.84 . . . . 0.0 110.114 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.97 -43.8 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.627 -0.67 . . . . 0.0 109.642 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.53 94.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.0 109.553 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.411 ' OE1' ' OG1' ' A' ' 39' ' ' THR . 87.9 mt-30 -65.6 -37.2 85.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.157 -0.965 . . . . 0.0 109.106 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.0 tp -62.24 -42.15 99.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.316 -0.865 . . . . 0.0 109.303 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.19 -39.53 90.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.261 -0.899 . . . . 0.0 109.312 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -60.76 -46.57 89.93 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.404 -0.81 . . . . 0.0 109.592 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.78 -44.04 94.55 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.223 -0.923 . . . . 0.0 109.241 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.97 -39.8 94.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.323 -0.861 . . . . 0.0 108.933 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.6 tt0 -49.72 -49.2 48.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.413 -0.804 . . . . 0.0 109.028 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 49' ' ' ILE . 97.3 mt -64.58 -43.35 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 109.313 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.74 -42.65 99.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.347 -0.846 . . . . 0.0 110.366 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.8 p -93.78 -15.08 25.5 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.911 -1.118 . . . . 0.0 109.908 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.25 7.52 39.0 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.82 -162.06 34.67 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -102.3 128.53 48.81 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.464 -1.021 . . . . 0.0 109.909 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.27 83.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.379 -0.826 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.75 93.16 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.3 p -96.86 6.04 49.41 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.089 -1.242 . . . . 0.0 108.951 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 53.4 ttm -82.18 137.51 34.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.414 -0.804 . . . . 0.0 110.095 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -129.7 143.23 50.72 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.7 t -115.15 132.35 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -130.06 127.23 39.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.588 -0.695 . . . . 0.0 109.402 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.79 131.6 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.452 -0.78 . . . . 0.0 109.751 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -128.96 144.73 51.27 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 121.554 0.692 . . . . 0.0 109.749 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -146.31 80.72 1.57 Allowed 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.57 -133.38 11.7 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -96.54 5.41 50.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.261 -1.14 . . . . 0.0 109.932 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.7 m -125.34 135.71 52.73 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.452 -0.78 . . . . 0.0 110.037 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -79.01 132.52 36.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.454 -0.779 . . . . 0.0 109.809 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -74.14 -54.62 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.141 -0.974 . . . . 0.0 109.634 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 p -173.64 166.55 4.56 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.362 -0.836 . . . . 0.0 109.437 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 85.9 m -114.13 130.36 56.59 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.522 -0.736 . . . . 0.0 109.25 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.2 mtt -70.89 85.88 0.69 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 0.0 109.657 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.6 t0 -94.5 -23.48 17.68 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.475 -0.766 . . . . 0.0 109.628 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 77' ' ' ALA . 25.0 t-20 -91.87 106.74 18.7 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.147 -0.971 . . . . 0.0 110.211 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -69.5 -25.23 63.95 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.339 -0.85 . . . . 0.0 109.308 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -79.07 -2.61 41.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.41 -0.806 . . . . 0.0 109.793 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 74' ' ' ASN . . . -87.01 155.64 20.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.202 -0.937 . . . . 0.0 109.996 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -83.06 160.42 21.94 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.288 -0.882 . . . . 0.0 110.088 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.66 -43.12 99.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.369 -0.832 . . . . 0.0 109.513 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.49 -3.49 58.27 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -61.77 -44.64 96.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -1.172 . . . . 0.0 109.06 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -103.79 -27.09 12.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.427 -0.796 . . . . 0.0 109.265 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.84 96.46 9.35 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.351 -0.843 . . . . 0.0 109.635 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -134.37 68.73 1.47 Allowed 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.4 t -172.69 -129.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 50.2 p-10 -172.74 142.66 1.19 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.247 -0.908 . . . . 0.0 109.507 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.54 15.76 67.77 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.09 155.75 36.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.294 -1.121 . . . . 0.0 109.696 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -115.01 124.57 51.99 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -106.06 129.52 54.15 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.083 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -110.28 121.36 45.09 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 74.9 t -94.95 131.55 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.44 -0.788 . . . . 0.0 108.977 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.6 t -125.12 116.35 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.627 -0.67 . . . . 0.0 109.232 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.532 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 41.4 p-10 -109.55 129.4 55.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.571 -0.706 . . . . 0.0 109.433 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.477 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.295 0.569 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.24 109.68 1.2 Allowed Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -85.54 -12.44 51.65 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.262 -1.14 . . . . 0.0 109.223 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -146.59 150.21 35.05 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.364 -0.835 . . . . 0.0 109.539 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -149.86 166.53 29.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.312 -0.867 . . . . 0.0 109.494 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -106.51 153.82 21.75 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.496 -0.752 . . . . 0.0 109.511 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -75.0 154.66 37.97 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.462 -0.774 . . . . 0.0 110.295 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -74.02 -8.92 57.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.551 -0.718 . . . . 0.0 109.182 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 t 61.83 29.84 18.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.51 -0.744 . . . . 0.0 109.373 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.96 -41.93 97.29 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.366 -0.834 . . . . 0.0 109.149 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.14 -108.18 2.09 Favored Glycine 0 N--CA 1.498 2.799 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.43 133.09 49.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.443 -1.033 . . . . 0.0 110.572 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 p -151.94 37.73 0.57 Allowed 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 50.7 p-10 -86.54 84.88 7.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.35 -0.844 . . . . 0.0 109.626 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -136.55 151.09 49.02 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.4 pt -125.97 149.63 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -99.84 118.77 37.0 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.427 -0.795 . . . . 0.0 109.374 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.4 m -139.2 164.13 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.557 -0.714 . . . . 0.0 109.455 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -101.07 139.76 36.31 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.0 131.38 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.3 t -134.99 148.5 49.99 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -111.99 147.05 36.76 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.533 0.683 . . . . 0.0 109.877 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 t -79.87 -74.91 0.28 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.515 -0.74 . . . . 0.0 110.301 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -77.96 53.62 1.19 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.352 -0.842 . . . . 0.0 110.644 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 61.7 t-20 -172.16 140.22 1.15 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.197 -0.939 . . . . 0.0 109.51 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.513 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 35.5 p-10 -85.8 1.1 51.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.338 -0.851 . . . . 0.0 109.583 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.78 122.18 25.72 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.329 -0.857 . . . . 0.0 109.503 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.5 t -131.65 133.88 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.559 -0.713 . . . . 0.0 109.22 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.52 126.42 52.9 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -110.77 146.22 36.73 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.542 -0.724 . . . . 0.0 110.269 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 53.82 57.76 5.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.716 -0.615 . . . . 0.0 109.895 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.8 p -102.06 123.25 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.31 -0.869 . . . . 0.0 108.897 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -94.14 136.74 34.1 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.246 -0.909 . . . . 0.0 109.546 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.7 mt -134.67 141.41 46.55 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.443 -0.786 . . . . 0.0 109.373 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.77 141.7 55.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.496 -0.752 . . . . 0.0 109.512 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -75.53 -16.26 60.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.422 -0.799 . . . . 0.0 109.854 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -80.81 -0.79 40.35 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.474 -0.766 . . . . 0.0 109.567 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -76.75 142.29 40.47 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.213 -0.929 . . . . 0.0 109.841 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.1 p -87.48 167.47 13.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.543 -0.723 . . . . 0.0 109.809 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.569 ' CG1' ' NZ ' ' A' ' 44' ' ' LYS . 53.5 t -63.78 -44.44 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.525 -0.734 . . . . 0.0 109.297 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.21 87.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -0.923 . . . . 0.0 108.849 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.441 ' O ' ' OG1' ' A' ' 45' ' ' THR . 95.9 mm-40 -65.15 -39.46 93.01 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.213 -0.93 . . . . 0.0 108.768 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.28 -43.38 98.09 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.156 -0.965 . . . . 0.0 109.223 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.569 ' NZ ' ' CG1' ' A' ' 40' ' ' VAL . 59.0 mttp -62.52 -40.72 97.66 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.289 -0.882 . . . . 0.0 109.717 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 19.2 p -63.24 -44.58 94.81 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.12 -0.987 . . . . 0.0 109.444 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.84 -46.09 86.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.227 -0.921 . . . . 0.0 109.371 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.0 -38.27 85.68 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 0.0 109.524 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 52' ' ' GLY . 83.3 tt0 -52.27 -47.9 65.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.895 . . . . 0.0 109.099 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.63 -43.63 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.0 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.1 -41.76 99.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.532 -0.73 . . . . 0.0 110.242 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.512 ' HG1' ' H ' ' A' ' 53' ' ' GLY . 43.2 p -92.76 -16.95 24.79 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.949 -1.094 . . . . 0.0 109.764 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.66 5.12 36.05 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.512 ' H ' ' HG1' ' A' ' 51' ' ' THR . . . -78.04 -170.42 35.95 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 37.3 m -100.31 119.36 38.29 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.491 -1.005 . . . . 0.0 109.535 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.64 67.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.378 -0.826 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.59 -13.67 83.24 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.8 p -123.51 -3.83 8.31 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.441 -1.035 . . . . 0.0 109.103 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.8 ttp -89.57 128.28 36.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.395 -0.816 . . . . 0.0 109.905 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -114.57 148.64 37.73 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.6 t -118.35 132.01 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -130.83 145.5 52.0 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.4 t -93.79 131.0 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.537 -0.727 . . . . 0.0 109.448 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -126.59 137.66 53.36 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.573 0.701 . . . . 0.0 109.896 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -138.36 80.76 1.81 Allowed 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.99 -130.72 10.42 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 34.8 p-10 -98.69 6.87 46.69 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.364 -1.08 . . . . 0.0 110.038 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.9 m -126.31 132.77 51.56 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.487 -0.758 . . . . 0.0 109.84 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -80.43 130.69 35.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.396 -0.815 . . . . 0.0 109.686 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.1 t -72.57 -53.15 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.154 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.2 t -174.28 166.75 4.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.394 -0.816 . . . . 0.0 109.596 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.3 m -115.99 128.44 55.74 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.2 90.01 0.09 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.848 . . . . 0.0 109.997 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 40.1 p-10 -95.79 -29.77 14.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.442 -0.787 . . . . 0.0 109.816 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.518 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 13.7 t-20 -89.67 108.45 19.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.259 -0.9 . . . . 0.0 109.831 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.53 ' C ' ' H ' ' A' ' 77' ' ' ALA . 99.0 m-20 -63.86 -38.57 91.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.471 -0.768 . . . . 0.0 109.797 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.22 18.28 0.05 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.412 -0.805 . . . . 0.0 110.131 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.53 ' H ' ' C ' ' A' ' 75' ' ' ASN . . . -99.49 149.65 23.0 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.271 -0.893 . . . . 0.0 109.847 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -86.44 159.52 19.31 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.441 -0.787 . . . . 0.0 110.325 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.82 -42.56 99.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.512 -0.742 . . . . 0.0 109.901 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.59 -6.47 62.63 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -63.01 -45.68 91.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.325 -1.103 . . . . 0.0 109.221 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -104.69 -27.62 11.7 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.519 -0.738 . . . . 0.0 109.514 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.21 63.94 0.91 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.388 -0.82 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -90.7 7.32 40.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.383 -0.823 . . . . 0.0 109.344 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.7 t -137.74 145.04 41.99 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.478 -0.764 . . . . 0.0 109.446 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -84.42 170.88 13.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.504 -0.748 . . . . 0.0 110.299 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.96 3.49 90.45 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -78.22 155.69 30.19 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.382 -1.069 . . . . 0.0 109.765 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -119.07 126.24 51.21 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -106.56 131.21 53.99 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -114.25 123.97 50.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.674 -0.641 . . . . 0.0 109.329 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.7 t -92.2 126.48 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 87.5 t -107.96 110.69 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.66 -0.65 . . . . 0.0 109.371 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -98.37 110.96 23.46 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.497 -0.752 . . . . 0.0 109.721 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.675 179.783 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 1' ' ' MET . 6.2 tmm? . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.23 -99.15 0.14 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.527 ' C ' ' H ' ' A' ' 5' ' ' HIS . 72.6 m80 -61.52 -41.08 96.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.403 -1.057 . . . . 0.0 110.164 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 57.94 2.71 0.19 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.373 -0.829 . . . . 0.0 109.595 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.527 ' H ' ' C ' ' A' ' 3' ' ' HIS . 97.0 m-70 -89.92 118.82 29.77 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.137 -0.977 . . . . 0.0 109.737 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' CE1' ' NE2' ' A' ' 7' ' ' HIS . 51.3 p-80 -82.97 -20.9 34.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.283 -0.886 . . . . 0.0 109.133 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.411 ' NE2' ' CE1' ' A' ' 6' ' ' HIS . 98.9 m-70 -57.48 -78.42 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.414 -0.804 . . . . 0.0 109.664 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -168.0 121.06 0.89 Allowed 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.314 -0.866 . . . . 0.0 109.708 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.0 p -159.23 5.61 0.1 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -81.12 127.26 32.44 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.526 -0.734 . . . . 0.0 109.437 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.36 144.69 21.7 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.951 -1.259 . . . . 0.0 109.951 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -69.01 133.25 47.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.294 -1.121 . . . . 0.0 109.69 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.0 t -76.14 144.45 40.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.463 -0.773 . . . . 0.0 110.11 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -134.73 31.82 3.32 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.504 -0.748 . . . . 0.0 109.095 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -110.89 145.38 38.38 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.518 -0.739 . . . . 0.0 109.237 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.3 pt -129.47 143.8 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.582 -0.699 . . . . 0.0 109.26 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -96.26 131.72 42.46 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.6 m -146.54 166.73 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 109.193 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -97.83 143.16 28.73 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.262 -0.898 . . . . 0.0 109.2 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.5 t -124.88 135.45 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.2 p -132.38 156.39 46.74 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.475 -0.765 . . . . 0.0 109.312 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -147.83 137.22 22.37 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.249 -0.907 . . . . 0.0 109.118 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.501 ' HG ' ' H ' ' A' ' 94' ' ' ASP . 89.0 p -75.94 163.13 27.49 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.453 -0.779 . . . . 0.0 111.013 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 28.4 m170 39.95 49.6 2.29 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 121.435 0.636 . . . . 0.0 110.314 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.537 ' C ' ' H ' ' A' ' 27' ' ' ALA . 11.5 m120 -151.93 -29.32 0.17 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.9 t0 60.24 -1.37 0.2 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.661 -0.649 . . . . 0.0 109.499 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.537 ' H ' ' C ' ' A' ' 25' ' ' ASN . . . -87.88 111.1 21.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 0.0 109.283 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.2 t -124.98 130.4 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.67 145.76 29.21 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.44 -0.787 . . . . 0.0 109.176 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' GLU . 76.5 m-85 -109.55 138.66 45.59 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.65 -0.656 . . . . 0.0 110.15 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' PHE . 78.5 mm-40 37.03 77.56 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.213 0.53 . . . . 0.0 111.196 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 32' ' ' VAL . 3.3 m -97.94 122.99 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.05 -1.031 . . . . 0.0 109.195 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 18.3 ptmt -81.88 123.55 28.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.052 -1.03 . . . . 0.0 109.825 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -140.41 144.59 36.25 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.213 -0.93 . . . . 0.0 109.391 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.02 131.68 44.73 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 121.793 0.806 . . . . 0.0 109.819 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -75.39 -12.41 60.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.633 -0.667 . . . . 0.0 109.835 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -82.56 0.28 43.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.117 -0.989 . . . . 0.0 109.607 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -77.16 151.21 35.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.269 -0.894 . . . . 0.0 110.022 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.9 p -85.29 164.02 18.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.485 -0.759 . . . . 0.0 110.067 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.93 -43.63 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.639 -0.663 . . . . 0.0 109.39 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.64 85.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.382 -0.824 . . . . 0.0 109.493 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.64 -43.13 94.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.066 -1.021 . . . . 0.0 109.463 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.57 -41.33 98.4 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.383 -0.823 . . . . 0.0 109.786 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -59.85 -41.59 91.76 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.182 -0.949 . . . . 0.0 109.572 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.5 m -60.31 -45.38 93.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.362 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.98 -43.58 98.39 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.075 -1.015 . . . . 0.0 109.207 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.84 -39.47 94.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.276 -0.89 . . . . 0.0 109.082 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.6 tt0 -55.16 -41.6 72.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.358 -0.839 . . . . 0.0 108.911 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.9 -42.93 97.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.371 -0.831 . . . . 0.0 109.422 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.58 -42.08 98.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.414 -0.804 . . . . 0.0 109.951 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.42 ' C ' ' H ' ' A' ' 53' ' ' GLY . 44.2 p -91.26 -15.78 28.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.928 -1.107 . . . . 0.0 109.77 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.29 0.93 8.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -81.23 -165.68 34.82 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 m -98.97 132.77 44.04 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.472 -1.017 . . . . 0.0 109.86 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.35 83.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.541 -0.724 . . . . 0.0 110.321 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.06 -6.79 87.6 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 119.984 -1.103 . . . . 0.0 110.58 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.2 m -107.65 -30.99 8.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.175 -1.191 . . . . 0.0 110.068 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.17 144.91 26.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 0.0 109.968 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -110.57 153.27 25.37 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.18 132.37 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.575 -0.703 . . . . 0.0 109.124 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -135.59 149.76 49.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.47 -0.769 . . . . 0.0 109.107 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.8 t -106.35 130.42 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.491 -0.755 . . . . 0.0 109.055 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -128.93 149.75 50.66 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.636 0.732 . . . . 0.0 109.699 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -139.64 91.28 2.47 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.17 -130.18 13.46 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -96.13 11.98 32.36 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.437 -1.037 . . . . 0.0 110.371 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.7 m -118.53 133.4 55.9 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.39 -0.819 . . . . 0.0 110.03 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 m -82.17 119.54 24.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.43 -0.794 . . . . 0.0 109.892 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 70' ' ' SER . 77.3 t -71.19 -50.88 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 0.0 110.161 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.1 m 164.7 -179.28 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.342 -0.848 . . . . 0.0 109.258 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.5 m -120.62 130.35 54.12 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -66.17 93.72 0.22 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.218 -0.926 . . . . 0.0 110.153 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -90.71 -23.7 20.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.443 -0.786 . . . . 0.0 109.724 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -93.85 106.0 17.99 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.311 -0.868 . . . . 0.0 109.811 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 53.2 p-10 -72.64 -15.61 61.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.264 -0.898 . . . . 0.0 109.297 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 95.5 m-20 -90.65 -3.51 57.47 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.362 -0.836 . . . . 0.0 109.202 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.65 155.21 31.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.507 -0.746 . . . . 0.0 110.098 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -83.07 160.64 21.88 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.437 -0.79 . . . . 0.0 110.306 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.6 tp -62.55 -41.5 98.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.499 -0.75 . . . . 0.0 109.261 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.77 -3.14 54.16 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.04 -45.4 93.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.051 -1.264 . . . . 0.0 109.022 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -107.8 -29.23 9.2 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.467 -0.77 . . . . 0.0 109.724 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.5 -106.65 0.08 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.2 -0.937 . . . . 0.0 110.242 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 61.37 32.08 19.13 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.65 -0.656 . . . . 0.0 109.89 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.6 t -158.12 130.6 7.14 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.179 -0.951 . . . . 0.0 109.173 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -77.17 147.64 36.38 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.195 -0.94 . . . . 0.0 110.42 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.43 -5.47 51.98 Favored Glycine 0 N--CA 1.5 2.902 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.7 mt -76.48 158.35 31.36 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.188 -1.184 . . . . 0.0 109.812 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -125.83 130.02 50.56 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -103.73 131.82 50.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.501 -0.749 . . . . 0.0 109.061 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -117.44 124.34 48.57 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.655 -0.653 . . . . 0.0 109.543 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.9 t -106.42 129.27 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.49 113.99 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.472 -0.768 . . . . 0.0 109.28 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.501 ' H ' ' HG ' ' A' ' 23' ' ' SER . 28.5 t0 -98.88 114.17 26.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.312 -0.868 . . . . 0.0 109.833 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.593 179.567 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptp . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.403 0.62 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.75 151.7 52.2 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -86.64 43.99 1.12 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 122.153 -0.616 . . . . 0.0 109.498 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -150.79 145.98 26.09 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.544 0.688 . . . . 0.0 109.761 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -66.8 -43.08 84.82 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.526 ' HD1' ' C ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -153.92 165.76 35.09 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.643 0.735 . . . . 0.0 110.58 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -64.84 -44.59 89.3 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.009 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 9' ' ' SER . 86.1 t60 -168.78 149.88 4.62 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.671 0.748 . . . . 0.0 110.359 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 92.3 p -76.95 168.02 20.81 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.658 0.742 . . . . 0.0 110.472 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -148.25 147.59 29.53 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.711 0.767 . . . . 0.0 109.998 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.13 -162.31 28.14 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -84.39 147.92 26.88 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.489 0.661 . . . . 0.0 110.163 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.1 p -150.06 116.72 5.84 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.681 0.753 . . . . 0.0 109.977 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -93.13 12.04 25.66 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -104.12 145.42 30.21 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 121.825 0.822 . . . . 0.0 109.574 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.0 pt -135.94 161.58 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.758 0.79 . . . . 0.0 110.087 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -108.11 128.19 54.47 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.691 0.758 . . . . 0.0 109.584 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.48 166.42 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 CA-C-O 121.825 0.821 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -102.13 141.56 34.77 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.706 0.765 . . . . 0.0 109.772 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.8 t -125.16 132.87 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 CA-C-O 121.764 0.792 . . . . 0.0 109.336 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.482 ' HG ' ' HE ' ' A' ' 89' ' ' ARG . 61.7 m -128.99 154.16 46.87 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.62 0.724 . . . . 0.0 109.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 23' ' ' SER . 54.8 t-20 -134.8 142.47 46.69 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.731 0.777 . . . . 0.0 109.742 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.518 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 68.2 m -78.51 -6.41 55.37 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.53 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 74.4 m80 -126.01 153.54 44.23 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.795 0.807 . . . . 0.0 110.533 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 56.55 3.9 0.13 Allowed 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.515 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.524 ' H ' ' C ' ' A' ' 24' ' ' HIS . 93.2 m-20 45.77 29.01 0.63 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.11 119.67 16.62 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.53 0.681 . . . . 0.0 110.008 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.6 t -127.44 132.18 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.476 0.655 . . . . 0.0 109.58 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.21 136.34 53.06 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.547 0.689 . . . . 0.0 109.528 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -114.13 140.74 48.26 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.836 0.827 . . . . 0.0 110.579 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 55.57 47.75 20.17 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.275 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.7 p -77.51 126.9 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-O 121.651 0.739 . . . . 0.0 110.275 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -89.58 115.9 27.33 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.689 0.757 . . . . 0.0 110.195 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.5 mt -135.72 133.64 38.26 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.581 0.705 . . . . 0.0 109.521 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.5 140.02 49.79 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.605 0.717 . . . . 0.0 110.213 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -70.66 -16.95 62.86 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.139 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -80.66 -2.87 48.46 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.691 -0.631 . . . . 0.0 110.057 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.0 mt -75.99 139.89 41.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.539 -0.726 . . . . 0.0 109.845 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.7 p -84.58 166.24 17.33 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.591 0.71 . . . . 0.0 109.882 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.87 -43.79 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.12 95.59 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -65.72 -37.71 87.16 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.7 tp -63.0 -40.92 99.23 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.15 -39.87 94.08 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 83.9 m -61.62 -45.57 93.53 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -64.24 -43.39 95.07 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.38 -39.8 92.71 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.1 tt0 -51.18 -47.68 62.12 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.87 -43.64 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-O 121.193 0.52 . . . . 0.0 109.6 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.15 -43.26 95.73 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.979 -0.45 . . . . 0.0 110.485 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.2 p -94.64 -15.86 23.64 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.877 -0.514 . . . . 0.0 109.712 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 64.08 17.7 61.53 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.72 -162.65 36.57 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.502 ' SG ' ' OG1' ' A' ' 57' ' ' THR . 0.8 OUTLIER -105.8 116.48 32.02 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.524 0.678 . . . . 0.0 109.192 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.64 -26.63 68.12 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.058 0.456 . . . . 0.0 109.891 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.91 -39.25 97.81 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.502 ' OG1' ' SG ' ' A' ' 54' ' ' CYS . 53.5 p -105.97 6.27 31.16 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.619 -0.93 . . . . 0.0 109.523 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.6 ttm -74.9 131.06 40.43 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.725 0.774 . . . . 0.0 110.229 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -123.83 140.88 52.55 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 121.673 0.749 . . . . 0.0 109.706 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.98 129.51 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-O 121.637 0.732 . . . . 0.0 109.685 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -130.77 129.17 42.12 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.749 0.785 . . . . 0.0 109.842 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.19 130.11 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 121.592 0.71 . . . . 0.0 109.9 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -127.25 144.69 50.99 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.972 0.891 . . . . 0.0 110.098 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -149.0 92.17 1.94 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.42 -128.77 8.63 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -102.4 10.12 39.26 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.1 m -129.35 135.7 49.07 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.868 0.842 . . . . 0.0 110.469 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 m -82.07 130.29 35.04 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.44 0.638 . . . . 0.0 109.996 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -73.53 -55.07 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.2 t -175.85 165.9 3.04 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.668 0.747 . . . . 0.0 110.451 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.2 m -114.5 128.63 56.43 Favored 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.73 0.776 . . . . 0.0 109.474 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.0 mtt -68.85 92.22 0.49 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.377 0.608 . . . . 0.0 110.426 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.1 t0 -95.04 -24.65 16.8 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 61.3 t-20 -91.04 109.97 21.22 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.598 0.713 . . . . 0.0 110.301 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -72.26 -18.39 61.82 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 89.8 m-20 -92.07 7.44 42.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.767 -0.583 . . . . 0.0 109.442 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.38 153.07 20.7 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.665 0.745 . . . . 0.0 109.783 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -79.8 156.85 27.23 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.622 0.725 . . . . 0.0 110.177 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.73 -41.79 97.99 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.5 -4.52 52.34 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.99 -45.09 94.08 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.971 -0.723 . . . . 0.0 109.142 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -104.94 -26.53 12.14 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.77 67.65 0.9 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.564 -0.71 . . . . 0.0 109.586 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -100.71 53.47 0.86 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.446 ' HG ' ' H ' ' A' ' 86' ' ' ASP . 5.7 t -161.46 -131.77 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.454 0.645 . . . . 0.0 110.625 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.446 ' H ' ' HG ' ' A' ' 85' ' ' SER . 49.7 p-10 -169.01 139.47 2.32 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.753 0.787 . . . . 0.0 110.533 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.76 3.09 61.01 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.8 mt -72.14 153.71 41.49 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.907 -0.761 . . . . 0.0 110.069 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.482 ' HE ' ' HG ' ' A' ' 21' ' ' SER . 71.6 ttt180 -116.16 129.25 56.23 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.724 0.773 . . . . 0.0 109.755 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.65 130.88 54.87 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.679 0.752 . . . . 0.0 109.738 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.518 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 83.8 t60 -104.53 118.48 36.7 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.73 0.776 . . . . 0.0 109.826 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.6 t -97.21 128.25 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-O 121.502 0.668 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.8 t -115.55 125.0 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-O 121.865 0.84 . . . . 0.0 109.762 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.53 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 27.0 p-10 -128.89 107.04 9.31 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.445 0.64 . . . . 0.0 109.6 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 117.863 -1.065 . . . . 0.0 110.03 179.577 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.625 0.726 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.95 88.35 1.58 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -87.61 -15.02 38.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.553 -0.969 . . . . 0.0 109.104 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -71.88 127.93 34.13 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.252 -0.905 . . . . 0.0 110.406 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.707 ' H ' ' HD1' ' A' ' 5' ' ' HIS . 3.1 p-80 -89.96 10.78 22.63 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.417 -0.802 . . . . 0.0 109.289 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.541 ' O ' ' N ' ' A' ' 8' ' ' HIS . 85.4 t60 54.82 -91.22 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.704 -0.623 . . . . 0.0 110.413 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' A' ' 5' ' ' HIS . 63.1 m80 41.84 -90.18 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.555 0.693 . . . . 0.0 110.663 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' A' ' 6' ' ' HIS . 30.7 t-80 -79.33 124.41 28.39 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.944 0.878 . . . . 0.0 110.143 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.463 ' O ' ' CE1' ' A' ' 8' ' ' HIS . 37.9 t -73.52 144.12 46.27 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.635 0.731 . . . . 0.0 110.26 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -155.26 126.52 7.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.353 -0.842 . . . . 0.0 110.05 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.14 16.6 80.5 Favored Glycine 0 N--CA 1.496 2.674 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -69.74 134.93 49.16 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.39 -1.065 . . . . 0.0 110.48 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t 72.13 81.76 0.14 Allowed 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.801 0.81 . . . . 0.0 109.613 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -95.66 62.83 2.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.295 -0.878 . . . . 0.0 109.121 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -128.83 146.2 50.99 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.632 -0.667 . . . . 0.0 109.641 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.0 pt -132.39 159.2 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.712 -0.617 . . . . 0.0 109.547 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -105.44 127.14 52.83 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.773 0.797 . . . . 0.0 110.196 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -135.93 162.49 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-O 121.44 0.638 . . . . 0.0 109.303 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -98.97 139.9 33.93 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -125.95 133.51 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 CA-C-O 121.725 0.774 . . . . 0.0 109.638 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.0 p -146.9 162.54 38.48 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' ND2' ' H ' ' A' ' 24' ' ' HIS . 14.4 t30 -130.8 154.16 48.31 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.933 0.873 . . . . 0.0 110.049 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -67.55 -15.11 63.49 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.304 0.573 . . . . 0.0 109.472 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.456 ' H ' ' ND2' ' A' ' 22' ' ' ASN . 79.6 m80 -131.04 167.06 19.71 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.275 -0.891 . . . . 0.0 109.996 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 58.64 151.25 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.807 0.813 . . . . 0.0 110.561 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.09 6.68 35.17 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.01 106.53 0.72 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.3 -0.875 . . . . 0.0 109.694 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -131.32 133.68 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.511 -0.743 . . . . 0.0 109.383 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.76 135.73 50.21 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLU . 99.0 m-85 -109.0 143.89 37.7 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.655 0.74 . . . . 0.0 110.369 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' PHE . 97.5 mt-10 35.02 66.72 0.29 Allowed 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 121.519 0.676 . . . . 0.0 111.005 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 p -90.54 128.4 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.225 -0.922 . . . . 0.0 109.13 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -81.58 120.21 24.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 110.09 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -132.99 135.46 45.49 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 121.52 0.676 . . . . 0.0 109.543 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.58 139.77 56.91 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.982 0.896 . . . . 0.0 109.957 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -75.49 -11.95 60.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.649 -0.657 . . . . 0.0 109.602 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -85.22 -0.52 54.9 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.111 -0.993 . . . . 0.0 109.565 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.1 mt -74.62 142.23 44.61 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.02 -1.05 . . . . 0.0 109.749 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.529 ' OG1' ' NE2' ' A' ' 42' ' ' GLN . 10.1 p -82.68 164.62 20.59 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 121.828 0.823 . . . . 0.0 110.102 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.51 -43.21 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.608 -0.683 . . . . 0.0 110.009 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.37 92.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.144 -0.972 . . . . 0.0 109.656 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.618 ' NE2' ' N ' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -66.25 -35.61 80.86 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.355 -0.841 . . . . 0.0 109.029 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.9 tp -64.03 -39.27 93.71 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.454 -0.779 . . . . 0.0 109.251 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.61 -41.91 99.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.483 -0.76 . . . . 0.0 109.75 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 73.5 p -60.48 -44.23 96.14 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.225 -0.922 . . . . 0.0 109.835 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.06 -44.3 92.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.156 -0.965 . . . . 0.0 109.476 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.59 -38.29 86.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 0.0 109.177 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.2 tt0 -52.61 -43.55 65.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.39 -0.819 . . . . 0.0 109.083 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.94 -44.01 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.21 -0.931 . . . . 0.0 109.242 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.97 -42.28 97.31 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.456 -0.778 . . . . 0.0 110.702 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.2 p -94.35 -16.4 23.52 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.928 -1.107 . . . . 0.0 109.427 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.94 22.68 74.12 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.7 -142.01 10.38 Favored Glycine 0 N--CA 1.494 2.56 0 O-C-N 121.247 -1.149 . . . . 0.0 110.414 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 m -135.41 114.32 12.05 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.492 -1.004 . . . . 0.0 109.056 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.95 -24.56 2.63 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.569 0.699 . . . . 0.0 110.006 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.35 6.45 72.36 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.3 p -133.85 -49.38 0.82 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.258 -1.143 . . . . 0.0 110.236 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.5 ptp -53.03 144.07 15.99 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.981 0.896 . . . . 0.0 111.044 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -109.5 149.24 29.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.646 -0.659 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.0 t -116.9 128.45 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 CA-C-O 121.532 0.682 . . . . 0.0 109.44 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.78 145.26 42.17 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.477 -0.764 . . . . 0.0 109.455 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.48 132.16 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.512 -0.743 . . . . 0.0 109.566 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -125.63 147.35 49.35 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.874 0.845 . . . . 0.0 110.177 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -143.07 80.96 1.7 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.82 -127.73 8.79 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -97.41 4.36 50.64 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.427 -1.043 . . . . 0.0 109.363 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.4 m -124.08 131.13 53.52 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.327 -0.858 . . . . 0.0 110.438 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.449 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 28.0 p -78.13 122.92 26.26 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.535 0.683 . . . . 0.0 109.682 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 70' ' ' SER . 94.0 t -65.43 -46.73 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.2 m 167.52 174.4 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.142 -0.973 . . . . 0.0 110.293 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' ASP . 52.6 m -115.11 130.7 56.99 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 121.667 0.746 . . . . 0.0 109.69 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -62.29 73.72 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.745 0.784 . . . . 0.0 110.014 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 71' ' ' THR . 54.9 m-20 -66.57 -35.52 80.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.488 -0.758 . . . . 0.0 109.34 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -86.88 107.02 18.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.114 -0.991 . . . . 0.0 110.257 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 52.6 p30 -74.86 -16.7 60.67 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.651 0.739 . . . . 0.0 109.453 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 31.9 p-10 -93.32 0.74 57.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.175 -0.953 . . . . 0.0 109.468 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.49 162.66 23.16 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.171 -0.956 . . . . 0.0 110.229 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -83.27 158.38 22.27 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.861 0.838 . . . . 0.0 110.613 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 42.8 tp -63.54 -40.98 98.43 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.691 0.757 . . . . 0.0 109.976 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.33 -5.07 62.01 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -63.18 -44.12 96.3 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.301 -1.117 . . . . 0.0 109.361 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.96 -27.43 11.69 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.388 -0.82 . . . . 0.0 109.15 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.22 75.65 1.27 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.361 -0.837 . . . . 0.0 109.187 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -95.24 8.05 44.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.392 -0.817 . . . . 0.0 108.885 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.2 m -149.36 152.29 35.55 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.176 -0.953 . . . . 0.0 110.228 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -84.57 171.41 12.5 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.886 0.851 . . . . 0.0 111.281 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.92 -1.94 85.38 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.6 mt -77.06 154.01 33.79 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.361 -1.082 . . . . 0.0 109.934 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -119.82 131.79 55.4 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.851 0.834 . . . . 0.0 109.426 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.8 mt -103.7 132.74 49.68 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -114.66 129.8 56.72 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.487 0.66 . . . . 0.0 109.479 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.09 131.74 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.574 0.702 . . . . 0.0 109.309 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.95 119.3 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 94' ' ' ASP . 42.8 p-10 -127.43 108.14 10.57 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.733 0.778 . . . . 0.0 109.613 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 93.0 p . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 117.89 -1.052 . . . . 0.0 108.836 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtm . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.272 0.558 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.04 -172.22 55.18 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.401 ' CD2' ' H ' ' A' ' 3' ' ' HIS . 10.0 p80 -72.74 147.36 45.68 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.687 -0.89 . . . . 0.0 110.174 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -73.79 154.32 39.59 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.603 -0.686 . . . . 0.0 110.408 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -72.31 137.06 46.42 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.49 -0.756 . . . . 0.0 109.868 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -101.87 122.91 44.9 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.511 -0.743 . . . . 0.0 109.561 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 7' ' ' HIS . 45.9 p-80 -113.63 107.05 15.26 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.545 -0.722 . . . . 0.0 109.58 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -66.52 -41.37 88.88 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.525 -0.734 . . . . 0.0 109.72 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 p -156.44 -58.43 0.09 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.344 -0.847 . . . . 0.0 109.379 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.8 m80 42.18 -109.85 0.13 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.613 -0.68 . . . . 0.0 110.504 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.95 121.44 5.8 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' SER . 21.1 ptmt -81.6 135.09 35.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.397 -1.06 . . . . 0.0 110.053 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 13' ' ' SER . 24.5 p 38.72 89.4 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 CA-C-O 121.495 0.664 . . . . 0.0 110.599 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 13' ' ' SER . 94.5 m-20 -141.05 28.47 1.9 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 15' ' ' PHE . 3.4 m-85 -128.01 153.09 47.15 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 pt -121.56 153.15 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.602 -0.686 . . . . 0.0 109.44 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -105.5 114.97 29.47 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.36 164.43 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.46 -0.775 . . . . 0.0 109.411 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -99.93 144.8 28.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.583 -0.698 . . . . 0.0 109.61 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.13 133.79 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.655 ' HG ' ' HD1' ' A' ' 91' ' ' HIS . 32.9 p -139.39 165.47 27.13 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.511 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 0.5 OUTLIER -143.82 131.73 21.55 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.193 -0.942 . . . . 0.0 109.631 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.532 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 60.2 m -63.23 -43.41 98.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.66 -0.65 . . . . 0.0 109.963 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.454 ' CE1' ' O ' ' A' ' 94' ' ' ASP . 58.3 m80 -79.5 -79.42 0.14 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.589 -0.694 . . . . 0.0 110.411 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 58.7 t-20 -62.93 146.65 52.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.522 -0.736 . . . . 0.0 109.843 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.54 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 94.6 m-20 -89.24 0.86 56.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.611 -0.681 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.63 120.43 10.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.465 -0.772 . . . . 0.0 109.447 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -128.09 133.54 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.43 136.02 53.24 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' GLU . 93.7 m-85 -110.26 146.66 35.26 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.398 -0.814 . . . . 0.0 110.595 -178.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' PHE . 97.3 mt-10 40.58 59.1 2.21 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.353 0.596 . . . . 0.0 110.304 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 9.9 p -89.8 121.58 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.428 -0.795 . . . . 0.0 109.06 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -75.39 133.18 41.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.443 -0.786 . . . . 0.0 110.137 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -137.33 130.93 31.46 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.418 -0.801 . . . . 0.0 109.277 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.22 141.57 54.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.449 -0.782 . . . . 0.0 109.548 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -70.65 -15.03 62.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.606 -0.684 . . . . 0.0 110.149 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -85.89 0.87 52.0 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.436 -0.79 . . . . 0.0 109.717 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 98.6 mt -74.21 139.67 44.55 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 109.984 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 80.5 p -88.75 165.71 14.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.595 -0.69 . . . . 0.0 109.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.54 -43.98 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.578 -0.701 . . . . 0.0 109.271 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.13 92.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.529 -0.732 . . . . 0.0 109.54 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.408 ' O ' ' OG1' ' A' ' 45' ' ' THR . 84.4 mt-30 -65.4 -36.09 82.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.354 -0.841 . . . . 0.0 109.198 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.22 -42.12 99.02 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.503 -0.748 . . . . 0.0 109.128 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.14 -42.41 99.22 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -0.854 . . . . 0.0 109.811 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 76.9 p -61.01 -42.87 99.28 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.271 -0.893 . . . . 0.0 109.348 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -63.42 -42.93 98.73 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.91 -39.28 93.81 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.574 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.1 tt0 -54.25 -44.6 71.91 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.3 -43.71 95.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.251 -0.906 . . . . 0.0 109.088 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -45.2 92.37 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.676 -0.64 . . . . 0.0 109.908 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.443 ' HG1' ' H ' ' A' ' 53' ' ' GLY . 34.8 p -92.02 -12.84 32.1 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.121 -0.987 . . . . 0.0 109.367 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 63.91 18.1 61.68 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.443 ' H ' ' HG1' ' A' ' 51' ' ' THR . . . -89.48 -137.21 6.32 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.477 ' SG ' ' CG2' ' A' ' 57' ' ' THR . 0.5 OUTLIER -136.56 125.13 23.65 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.51 -0.994 . . . . 0.0 109.448 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.31 -13.44 61.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.582 -0.699 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.39 -4.83 75.58 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.477 ' CG2' ' SG ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -143.1 9.56 1.69 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.331 -1.099 . . . . 0.0 108.848 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 56.9 ttm -82.64 144.0 30.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.597 -0.69 . . . . 0.0 110.196 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -124.14 140.54 52.87 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.4 t -113.17 129.96 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -130.76 128.19 40.28 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -87.44 133.72 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.392 -0.817 . . . . 0.0 109.156 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -127.55 145.29 50.91 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.837 0.827 . . . . 0.0 110.219 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -143.96 92.77 2.37 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.81 -133.74 13.48 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 36.8 p-10 -96.54 7.67 45.98 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.379 -1.071 . . . . 0.0 109.831 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -124.41 133.17 53.48 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.493 -0.754 . . . . 0.0 109.774 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.8 t -80.19 126.6 31.31 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.518 -0.739 . . . . 0.0 109.772 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.452 ' O ' ' OG ' ' A' ' 70' ' ' SER . 94.2 t -65.64 -45.34 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.467 -0.771 . . . . 0.0 109.751 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 168.44 176.5 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.322 -0.861 . . . . 0.0 109.398 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.7 m -116.81 129.66 56.23 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -66.21 92.29 0.18 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.354 -0.841 . . . . 0.0 110.129 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 40.4 p-10 -93.01 -21.15 19.93 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.291 -0.88 . . . . 0.0 109.501 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 85.5 m-20 -89.81 109.58 20.56 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.366 -0.834 . . . . 0.0 109.694 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -74.54 -16.63 60.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.477 -0.764 . . . . 0.0 109.622 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 34.9 p-10 -95.78 0.55 52.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.258 -0.901 . . . . 0.0 109.492 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.34 152.14 36.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.395 -0.816 . . . . 0.0 109.879 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.43 158.92 20.91 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.488 -0.758 . . . . 0.0 109.969 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.16 -42.08 99.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.575 -0.703 . . . . 0.0 109.835 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.79 -9.4 65.73 Favored Glycine 0 N--CA 1.492 2.372 0 C-N-CA 119.517 -1.325 . . . . 0.0 109.932 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.27 -45.49 91.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.216 -1.167 . . . . 0.0 109.416 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -104.39 -30.52 10.04 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.402 -0.811 . . . . 0.0 109.543 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.25 68.0 0.87 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.468 -0.77 . . . . 0.0 109.272 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -92.21 2.88 56.34 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.371 -0.83 . . . . 0.0 109.447 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.3 m -135.6 149.78 49.48 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.343 -0.848 . . . . 0.0 109.856 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -85.27 170.74 12.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.376 -0.828 . . . . 0.0 110.475 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.03 -2.91 87.19 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.5 mt -76.92 153.25 34.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.296 -1.12 . . . . 0.0 109.739 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -118.52 129.66 55.49 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.623 -0.673 . . . . 0.0 109.351 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -105.14 131.01 53.17 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.655 ' HD1' ' HG ' ' A' ' 21' ' ' SER . 73.2 t60 -111.14 119.43 38.94 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.607 -0.683 . . . . 0.0 109.369 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.91 128.97 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.615 -0.678 . . . . 0.0 109.362 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.1 t -117.35 123.12 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.454 ' O ' ' CE1' ' A' ' 24' ' ' HIS . 68.1 t0 -100.83 109.23 21.19 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.485 -0.759 . . . . 0.0 109.869 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.12 179.508 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mmm . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.8 9.03 86.02 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -80.84 145.17 31.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.369 -1.077 . . . . 0.0 109.637 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -149.31 165.41 32.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.895 . . . . 0.0 109.694 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -72.26 142.28 48.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.522 -0.736 . . . . 0.0 110.209 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -151.7 165.62 33.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.423 -0.798 . . . . 0.0 109.319 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -130.49 130.28 44.0 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.531 -0.731 . . . . 0.0 109.205 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -74.4 142.36 45.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.439 -0.788 . . . . 0.0 110.089 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 11' ' ' GLY . 68.1 p -88.33 76.53 8.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.381 -0.824 . . . . 0.0 109.427 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.6 m80 52.45 7.93 0.07 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.321 -0.862 . . . . 0.0 109.834 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 9' ' ' SER . . . 53.97 77.09 0.16 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -91.97 -6.24 51.62 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.398 -1.06 . . . . 0.0 108.814 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.5 m -66.86 146.11 54.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.42 -0.8 . . . . 0.0 109.426 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 97.6 m-20 -132.52 44.31 2.89 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.427 -0.795 . . . . 0.0 110.066 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 14' ' ' ASP . 84.8 m-85 -138.6 130.7 28.33 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-N 122.224 2.284 . . . . 0.0 113.13 -177.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.5 pt -135.02 154.81 37.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 113.727 -1.579 . . . . 0.0 107.426 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -111.28 134.55 52.78 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.9 m -138.26 166.58 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.395 -0.816 . . . . 0.0 109.196 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -100.71 144.14 30.04 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.533 -0.729 . . . . 0.0 109.463 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -125.46 133.66 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 t -135.87 163.45 30.21 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.446 -0.784 . . . . 0.0 109.13 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' SER . 58.3 t-20 -134.95 143.87 47.11 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.446 -0.784 . . . . 0.0 109.69 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.526 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 67.3 m -74.65 -69.5 0.46 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.458 -0.776 . . . . 0.0 110.291 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 94' ' ' ASP . 71.3 m80 -58.32 -44.16 88.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.413 -0.804 . . . . 0.0 110.179 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -92.14 146.43 23.72 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.242 -0.911 . . . . 0.0 110.208 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 26' ' ' ASP . 60.9 t0 -93.45 4.7 53.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.529 -0.732 . . . . 0.0 109.211 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.18 129.26 39.22 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.088 -1.008 . . . . 0.0 109.699 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.95 133.25 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.43 -0.794 . . . . 0.0 109.261 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.27 138.19 44.97 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.444 -0.785 . . . . 0.0 109.177 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -115.37 139.33 50.1 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.521 -0.737 . . . . 0.0 110.236 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 56.01 55.1 7.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.689 -0.632 . . . . 0.0 110.891 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 32' ' ' VAL . 2.5 m -79.01 125.27 38.3 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 O-C-N 121.132 -0.98 . . . . 0.0 109.106 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -93.56 113.07 25.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.977 -1.077 . . . . 0.0 109.472 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.2 mt -133.32 135.06 44.58 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.448 -0.782 . . . . 0.0 109.246 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 14' ' ' ASP . . . -68.87 142.95 54.66 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.376 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -72.95 -11.85 60.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.557 -0.715 . . . . 0.0 109.501 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -84.25 1.16 46.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.168 -0.957 . . . . 0.0 109.656 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.4 mt -77.48 143.74 38.27 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.25 -0.906 . . . . 0.0 110.155 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.7 p -86.32 165.38 16.46 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.447 -0.783 . . . . 0.0 110.006 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.89 -44.12 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.619 -0.675 . . . . 0.0 109.879 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.44 88.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -0.916 . . . . 0.0 109.295 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.04 -37.9 84.91 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.323 -0.86 . . . . 0.0 109.061 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -62.32 -43.46 98.77 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.402 -0.811 . . . . 0.0 109.18 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.05 -38.99 90.85 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.346 -0.846 . . . . 0.0 109.039 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.8 m -61.17 -46.39 90.7 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.275 -0.891 . . . . 0.0 109.17 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -63.71 -44.41 93.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.333 -0.854 . . . . 0.0 109.188 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.6 -38.68 90.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.549 -0.719 . . . . 0.0 109.283 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.8 tt0 -55.31 -48.05 74.71 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.541 -0.725 . . . . 0.0 109.221 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.9 -43.34 96.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.353 -0.842 . . . . 0.0 109.119 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.28 -41.97 99.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.56 -0.712 . . . . 0.0 110.312 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.1 p -93.09 -15.65 25.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.097 -1.002 . . . . 0.0 109.588 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.5 2.04 18.9 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.0 -171.91 32.49 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 t -97.43 120.8 38.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.506 -0.996 . . . . 0.0 109.293 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.32 -30.68 70.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.435 -0.791 . . . . 0.0 110.181 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.69 90.59 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.5 p -104.57 -5.02 21.87 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.261 -1.14 . . . . 0.0 109.997 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.0 ttp -87.24 125.71 34.37 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.065 -1.022 . . . . 0.0 109.992 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -113.71 150.57 33.1 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.5 t -113.29 132.85 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.536 -0.728 . . . . 0.0 109.385 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -129.5 137.81 51.01 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.64 -0.662 . . . . 0.0 109.292 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.5 t -90.32 130.86 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.463 -0.773 . . . . 0.0 108.999 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -128.63 146.56 50.83 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.881 0.848 . . . . 0.0 110.102 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -146.3 102.82 3.64 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.66 -0.866 . . . . 0.0 108.66 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.2 -129.6 20.67 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -102.25 12.0 37.34 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.538 -0.978 . . . . 0.0 109.755 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -127.64 132.67 49.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.441 -0.787 . . . . 0.0 110.187 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.0 p -78.73 135.26 37.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.527 -0.733 . . . . 0.0 109.626 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.46 -58.71 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 0.0 109.525 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 95.9 p -173.27 164.07 4.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.527 -0.733 . . . . 0.0 109.57 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 86.3 m -110.95 126.75 55.08 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.3 mtt -64.7 85.5 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.267 -0.896 . . . . 0.0 109.755 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 39.5 p-10 -94.63 -24.22 17.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.405 -0.809 . . . . 0.0 109.895 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 99.2 m-20 -92.33 107.25 19.07 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.223 -0.923 . . . . 0.0 110.087 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -64.56 -39.38 93.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.524 -0.735 . . . . 0.0 109.922 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -66.37 -0.93 2.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.4 -0.813 . . . . 0.0 109.863 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.46 152.03 23.52 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.241 -0.912 . . . . 0.0 109.995 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -89.23 164.46 14.95 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.472 -0.767 . . . . 0.0 110.207 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.0 tp -63.15 -41.49 99.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.508 -0.745 . . . . 0.0 109.292 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.4 -5.74 68.22 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -62.32 -44.76 95.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.234 -1.157 . . . . 0.0 108.825 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -101.72 -51.09 3.52 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.482 -0.761 . . . . 0.0 109.372 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.7 143.71 44.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.36 -0.838 . . . . 0.0 110.204 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -169.57 26.86 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 t -149.05 143.18 25.9 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.342 -0.849 . . . . 0.0 109.737 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -85.55 124.41 32.08 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.421 -0.799 . . . . 0.0 109.982 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.16 5.23 15.2 Favored Glycine 0 N--CA 1.502 3.046 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.08 154.12 40.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -1.078 . . . . 0.0 109.668 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -117.5 124.93 49.96 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.709 -0.62 . . . . 0.0 109.539 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.25 124.41 49.49 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.526 ' CE1' ' HG ' ' A' ' 23' ' ' SER . 82.5 t60 -99.38 128.12 45.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.376 -0.828 . . . . 0.0 109.627 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.3 t -101.13 128.0 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.474 -0.766 . . . . 0.0 109.103 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.65 98.8 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.446 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 44.3 p-10 -109.46 141.83 41.34 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.46 -0.775 . . . . 0.0 109.308 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--N 1.305 -1.337 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.549 -179.051 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.374 0.607 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.444 ' O ' ' ND1' ' A' ' 5' ' ' HIS . . . 85.87 151.86 18.06 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -104.43 1.69 30.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.561 -0.964 . . . . 0.0 108.686 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.502 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 54.1 p-80 -74.65 -11.75 60.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.539 -0.726 . . . . 0.0 109.166 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 2' ' ' GLY . 29.3 p-80 -68.38 -18.43 64.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.275 -0.891 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' HIS . 58.4 m80 -59.1 -45.37 91.05 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.241 -0.912 . . . . 0.0 109.432 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 4' ' ' HIS . 91.1 m-70 37.81 86.39 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 121.556 0.693 . . . . 0.0 110.388 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -59.17 -45.37 91.18 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.588 -0.695 . . . . 0.0 110.109 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 m -153.47 150.68 29.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.041 -1.037 . . . . 0.0 109.826 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -67.8 -40.67 83.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.495 -0.753 . . . . 0.0 110.246 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 12' ' ' LYS . . . -156.78 52.6 0.42 Allowed Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.766 -1.334 . . . . 0.0 109.766 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 14' ' ' ASP . 54.4 mtpt 43.04 -167.66 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.54 -0.977 . . . . 0.0 110.821 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 99.7 p 43.56 20.06 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.373 0.606 . . . . 0.0 109.673 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' LYS . 38.7 t70 -79.17 44.31 0.57 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.497 -0.752 . . . . 0.0 109.225 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -131.9 158.47 41.3 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.429 -0.794 . . . . 0.0 109.047 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.7 pt -124.95 155.53 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.437 -0.789 . . . . 0.0 109.328 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -103.29 112.39 25.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.388 -0.82 . . . . 0.0 109.119 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 m -141.23 164.7 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.383 -0.823 . . . . 0.0 109.253 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.32 144.74 28.98 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.456 -0.777 . . . . 0.0 109.24 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.47 132.84 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.501 -0.749 . . . . 0.0 109.094 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 m -131.24 155.22 47.48 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -146.07 132.92 20.1 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.023 -1.048 . . . . 0.0 109.469 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.59 ' HG ' ' HD1' ' A' ' 24' ' ' HIS . 96.4 p -75.99 170.17 16.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.387 -0.821 . . . . 0.0 110.321 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.59 ' HD1' ' HG ' ' A' ' 23' ' ' SER . 73.7 m80 54.46 15.27 0.97 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.586 -0.696 . . . . 0.0 109.439 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -150.32 130.43 13.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.21 -0.931 . . . . 0.0 109.543 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -84.28 1.7 43.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.354 -0.841 . . . . 0.0 109.218 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.38 111.54 15.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.41 -0.806 . . . . 0.0 109.6 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -127.01 133.62 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.56 149.72 26.88 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.395 -0.816 . . . . 0.0 109.341 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -128.0 146.15 50.75 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.391 -0.818 . . . . 0.0 110.171 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 46.87 51.81 12.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.606 -0.683 . . . . 0.0 110.309 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.6 p -92.63 126.21 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.065 -1.022 . . . . 0.0 109.335 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -74.16 135.27 42.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.269 -0.894 . . . . 0.0 109.893 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.87 131.34 37.25 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.409 -0.807 . . . . 0.0 109.452 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.66 135.42 51.35 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.359 -0.838 . . . . 0.0 109.842 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -75.17 -14.34 60.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.472 -0.768 . . . . 0.0 109.55 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -80.06 -0.95 37.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.579 -0.7 . . . . 0.0 109.366 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.26 138.18 40.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.314 -0.866 . . . . 0.0 110.16 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.433 ' OG1' ' OE1' ' A' ' 42' ' ' GLN . 15.1 p -89.43 168.32 12.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.507 -0.745 . . . . 0.0 109.851 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.79 -44.79 99.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.602 -0.686 . . . . 0.0 109.668 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.17 97.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.307 -0.871 . . . . 0.0 109.544 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.433 ' OE1' ' OG1' ' A' ' 39' ' ' THR . 6.1 mp0 -67.55 -36.3 80.71 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.8 tp -62.07 -43.13 99.5 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.31 -0.868 . . . . 0.0 109.065 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.62 -44.06 97.26 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.293 -0.879 . . . . 0.0 109.503 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.8 p -69.55 -39.51 77.39 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.073 -1.017 . . . . 0.0 109.755 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.26 -47.87 80.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.232 -0.918 . . . . 0.0 109.11 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.04 -38.86 89.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.444 -0.785 . . . . 0.0 109.351 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.7 tt0 -50.25 -47.01 55.29 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.396 -0.815 . . . . 0.0 109.034 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.11 -43.15 88.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.478 -0.764 . . . . 0.0 109.478 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.74 -42.66 99.77 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.289 -0.882 . . . . 0.0 110.228 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.5 p -94.42 -18.08 21.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.988 -1.07 . . . . 0.0 109.858 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 72.34 14.28 77.02 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.17 -171.12 37.6 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.1 t -105.68 111.82 24.65 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.542 -0.975 . . . . 0.0 109.294 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.83 -22.73 65.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.481 -0.762 . . . . 0.0 110.276 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.33 -3.59 25.84 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.443 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -152.09 9.61 0.51 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.026 -1.279 . . . . 0.0 109.183 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 37.4 ttp -91.86 127.52 37.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.141 -0.975 . . . . 0.0 109.612 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -116.76 151.43 36.45 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -117.57 133.73 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.537 -0.727 . . . . 0.0 109.083 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -127.96 138.65 52.7 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.578 -0.702 . . . . 0.0 109.409 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.96 134.69 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.394 -0.816 . . . . 0.0 109.214 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -126.17 148.38 49.44 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.881 0.848 . . . . 0.0 110.172 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -148.75 95.56 2.44 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.95 -133.64 17.29 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -96.94 10.02 40.3 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.367 -1.078 . . . . 0.0 109.605 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.4 m -126.83 135.36 50.9 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.415 -0.803 . . . . 0.0 109.994 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 m -83.12 125.84 31.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.525 -0.735 . . . . 0.0 109.653 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.468 ' O ' ' CB ' ' A' ' 70' ' ' SER . 86.3 t -65.52 -45.87 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.327 -0.858 . . . . 0.0 109.585 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.1 m 166.03 175.92 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.387 -0.821 . . . . 0.0 109.201 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.8 m -113.66 131.69 56.06 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -64.6 84.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.29 -0.881 . . . . 0.0 109.841 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -94.6 -22.02 18.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.45 -0.782 . . . . 0.0 109.922 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -83.28 110.53 18.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.147 -0.971 . . . . 0.0 110.46 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -68.31 -33.69 74.77 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.71 -0.619 . . . . 0.0 109.849 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 p-10 -84.01 8.51 15.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.294 -0.879 . . . . 0.0 110.189 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.94 153.23 20.33 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.005 -1.06 . . . . 0.0 109.642 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -93.07 163.48 13.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.26 -0.9 . . . . 0.0 110.416 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.6 tp -63.31 -42.29 99.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.592 -0.693 . . . . 0.0 109.734 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.21 -7.5 63.36 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -63.25 -45.88 89.49 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.268 -1.137 . . . . 0.0 109.226 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -104.99 -30.25 9.92 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.556 -0.715 . . . . 0.0 109.504 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.58 71.66 1.09 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -100.79 7.19 43.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.387 -0.821 . . . . 0.0 109.195 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.8 m -134.48 148.55 50.58 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.408 -0.807 . . . . 0.0 109.528 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -84.79 169.38 14.26 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.269 -0.894 . . . . 0.0 110.466 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.95 -4.14 85.89 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.17 168.74 19.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.197 -1.178 . . . . 0.0 109.819 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -124.77 155.46 39.32 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.731 0.777 . . . . 0.0 109.954 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.6 mt -134.97 97.25 3.69 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -87.38 118.2 26.67 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 0.0 109.584 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.04 130.72 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.362 -0.836 . . . . 0.0 109.241 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.5 t -103.1 113.4 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.315 -0.866 . . . . 0.0 109.051 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 94' ' ' ASP . 45.0 p-10 -127.11 113.76 16.83 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.463 -0.773 . . . . 0.0 109.551 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.023 -179.627 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.2 ttm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 4' ' ' HIS . . . -178.32 -165.44 33.03 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 58.75 -74.96 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.486 -1.008 . . . . 0.0 110.185 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 2' ' ' GLY . 93.9 m-70 -60.97 -40.66 94.25 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.324 -0.86 . . . . 0.0 109.893 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -61.48 -42.06 98.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.441 -0.787 . . . . 0.0 110.053 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.63 -44.55 93.55 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.658 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -93.23 173.05 7.92 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.428 -0.795 . . . . 0.0 110.237 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -99.57 109.6 22.1 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.561 -0.712 . . . . 0.0 109.865 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -61.62 -41.24 97.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.51 -0.744 . . . . 0.0 109.663 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -63.09 -39.21 94.04 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.552 -0.718 . . . . 0.0 109.227 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.31 18.13 57.79 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.091 -1.603 . . . . 0.0 109.091 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.55 133.42 52.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.478 -1.013 . . . . 0.0 110.035 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.8 p -154.23 112.57 3.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.491 -0.756 . . . . 0.0 109.097 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -114.44 47.29 1.25 Allowed 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -113.43 140.37 48.14 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.44 0.638 . . . . 0.0 109.621 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.6 pt -130.07 154.33 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.513 -0.742 . . . . 0.0 109.61 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -104.1 123.76 47.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.439 -0.788 . . . . 0.0 109.445 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.01 163.22 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.382 -0.824 . . . . 0.0 109.24 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -103.82 143.22 33.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.62 -0.675 . . . . 0.0 109.2 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.1 t -123.46 131.33 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.9 t -137.05 153.53 50.59 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.538 ' ND2' ' OD2' ' A' ' 94' ' ' ASP . 43.9 t30 -132.97 140.08 47.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.453 -0.78 . . . . 0.0 109.482 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.9 m -60.07 -37.6 80.4 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.58 -0.7 . . . . 0.0 109.754 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -105.01 153.29 21.65 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.335 -0.853 . . . . 0.0 109.899 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 70.25 149.41 0.08 Allowed 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.356 0.598 . . . . 0.0 109.783 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -90.72 6.08 45.54 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.63 106.68 0.58 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 109.207 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -131.34 134.49 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.506 -0.746 . . . . 0.0 109.035 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.31 148.36 32.08 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.373 -0.83 . . . . 0.0 109.034 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' GLU . 94.4 m-85 -124.51 143.91 50.4 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.424 -0.798 . . . . 0.0 110.321 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' PHE . 59.7 mm-40 40.97 42.75 1.6 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.317 0.579 . . . . 0.0 109.83 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.42 130.99 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.2 -0.938 . . . . 0.0 109.52 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -80.23 130.95 35.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.344 -0.848 . . . . 0.0 110.406 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -138.55 124.33 19.83 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.31 138.16 56.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.384 -0.822 . . . . 0.0 109.712 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -75.02 -16.26 60.61 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.672 -0.642 . . . . 0.0 110.154 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -81.54 -0.21 41.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 0.0 109.412 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.1 mt -78.72 144.27 35.43 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.343 -0.848 . . . . 0.0 109.918 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.6 p -84.78 167.34 16.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.378 -0.826 . . . . 0.0 109.981 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.71 -44.28 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.687 -0.633 . . . . 0.0 109.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.18 95.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.284 -0.885 . . . . 0.0 109.753 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -65.28 -31.62 72.87 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.381 -0.825 . . . . 0.0 109.191 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.4 tp -72.65 -38.16 67.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.569 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -60.47 -46.63 89.37 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.244 -0.91 . . . . 0.0 110.198 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 t -63.03 -41.69 99.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.376 -0.828 . . . . 0.0 109.06 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.6 -45.12 94.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.236 -0.915 . . . . 0.0 109.185 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.21 -38.92 89.11 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.436 -0.79 . . . . 0.0 109.199 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 52' ' ' GLY . 47.2 tp10 -51.35 -48.99 62.28 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.429 -0.794 . . . . 0.0 109.61 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.406 HD12 HG21 ' A' ' 49' ' ' ILE . 97.0 mt -64.85 -44.05 96.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.803 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.7 -41.51 98.11 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.323 -0.86 . . . . 0.0 110.518 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 p -95.12 -13.44 25.08 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.055 -1.028 . . . . 0.0 109.618 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 54.19 21.02 17.23 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.443 ' O ' ' OE2' ' A' ' 48' ' ' GLU . . . -78.9 -121.1 0.29 Allowed Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.7 m -148.4 110.43 4.57 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.328 -1.101 . . . . 0.0 109.448 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.29 66.0 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.603 -0.685 . . . . 0.0 109.947 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.8 -5.41 90.06 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 58' ' ' MET . 18.9 p -132.61 -56.47 0.95 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.209 -1.171 . . . . 0.0 110.051 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.405 ' N ' ' OG1' ' A' ' 57' ' ' THR . 0.5 OUTLIER -42.36 145.71 0.38 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.391 -0.818 . . . . 0.0 110.568 -179.214 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -123.82 152.71 41.97 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.687 -0.633 . . . . 0.0 109.444 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.8 t -114.98 132.1 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.465 -0.772 . . . . 0.0 109.23 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -133.47 150.04 51.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.466 -0.771 . . . . 0.0 108.981 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.7 t -100.99 131.98 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.453 -0.779 . . . . 0.0 109.265 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -126.91 143.48 51.26 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.68 0.752 . . . . 0.0 109.402 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -136.89 83.58 2.01 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.89 -126.21 7.31 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 35.8 p-10 -98.23 7.84 45.67 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.419 -1.048 . . . . 0.0 109.843 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.4 m -123.05 131.78 53.84 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.475 -0.766 . . . . 0.0 109.981 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -82.92 119.99 25.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 109.534 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 70' ' ' SER . 94.0 t -64.65 -46.48 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.309 -0.87 . . . . 0.0 109.86 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER 164.77 -175.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.36 -0.837 . . . . 0.0 109.422 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.5 m -120.08 133.58 55.48 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.6 mtt -67.72 87.19 0.22 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.303 -0.873 . . . . 0.0 109.94 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.69 -22.74 19.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.435 -0.791 . . . . 0.0 109.599 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -88.86 105.97 18.08 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.429 -0.794 . . . . 0.0 110.55 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.12 -35.49 78.21 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.697 -0.627 . . . . 0.0 109.668 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -75.18 -4.79 40.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.503 -0.748 . . . . 0.0 109.969 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.57 152.48 28.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.221 -0.924 . . . . 0.0 109.983 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -83.97 162.93 20.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.379 -0.825 . . . . 0.0 110.614 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.8 tp -63.25 -41.22 99.04 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.57 -0.706 . . . . 0.0 109.273 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.59 -4.27 65.04 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -62.53 -45.16 94.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.317 -1.108 . . . . 0.0 109.273 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.03 -27.97 13.3 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.471 -0.768 . . . . 0.0 109.048 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.74 142.28 30.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.453 -0.779 . . . . 0.0 109.426 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -166.45 27.08 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.341 -0.849 . . . . 0.0 108.915 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -149.07 152.59 36.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.455 -0.778 . . . . 0.0 109.454 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -92.59 119.49 32.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.155 -0.966 . . . . 0.0 109.751 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.61 11.67 5.91 Favored Glycine 0 N--CA 1.501 2.997 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.18 151.97 42.58 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.397 -1.061 . . . . 0.0 109.356 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -116.43 125.34 51.88 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.8 mt -106.13 133.51 50.73 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -118.2 128.0 54.28 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.9 t -107.93 129.13 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.17 111.91 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.377 -0.827 . . . . 0.0 109.126 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.538 ' OD2' ' ND2' ' A' ' 22' ' ' ASN . 99.6 m-20 -99.86 113.58 26.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.314 -0.866 . . . . 0.0 110.039 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.141 179.621 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.592 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.42 -170.19 40.88 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 6' ' ' HIS . 56.8 t-80 54.64 48.84 19.43 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.421 -1.046 . . . . 0.0 109.454 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -61.15 -45.6 93.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.464 -0.773 . . . . 0.0 109.679 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.449 ' O ' ' ND1' ' A' ' 5' ' ' HIS . 64.3 t-80 -155.81 -0.79 0.14 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.479 -0.763 . . . . 0.0 109.364 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 3' ' ' HIS . 98.6 m-70 -86.47 121.55 29.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.279 -0.888 . . . . 0.0 109.599 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -91.08 7.13 42.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.376 -0.828 . . . . 0.0 109.243 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.617 ' CE1' ' HG ' ' A' ' 9' ' ' SER . 53.2 t-80 43.21 -116.1 0.4 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.515 -0.74 . . . . 0.0 110.052 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.617 ' HG ' ' CE1' ' A' ' 8' ' ' HIS . 23.3 p -154.6 127.54 8.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.112 -0.993 . . . . 0.0 109.548 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -95.34 -7.83 37.5 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.373 -0.829 . . . . 0.0 108.949 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' SER . . . 98.37 -23.62 35.43 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' GLY . 98.3 mttt 38.06 -96.36 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.858 -0.79 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' GLY . 5.4 p 41.13 45.23 2.34 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 121.602 0.715 . . . . 0.0 109.936 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -82.44 12.93 3.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.462 -0.774 . . . . 0.0 109.518 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -113.33 155.89 24.36 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.1 pt -127.22 153.36 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.719 -0.613 . . . . 0.0 109.501 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -95.81 114.73 26.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.49 -0.756 . . . . 0.0 109.395 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.95 165.61 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.558 -0.714 . . . . 0.0 109.659 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -98.71 140.9 32.22 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.698 -0.626 . . . . 0.0 109.443 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.5 t -126.94 135.63 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.613 -0.679 . . . . 0.0 109.287 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.4 p -134.87 154.91 51.47 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.481 -0.762 . . . . 0.0 109.421 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -133.52 132.91 41.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.541 -0.724 . . . . 0.0 109.398 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.512 ' C ' ' H ' ' A' ' 25' ' ' ASN . 43.1 t -77.82 155.61 30.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.388 -0.82 . . . . 0.0 110.219 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 m80 68.06 -38.18 0.36 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.739 -0.601 . . . . 0.0 110.077 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 27' ' ' ALA . 98.9 m-20 -91.11 -7.32 51.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.081 -1.012 . . . . 0.0 109.034 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' ASN . 98.3 m-20 42.73 20.7 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.485 0.66 . . . . 0.0 109.613 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . -84.46 123.5 30.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.483 -0.761 . . . . 0.0 109.542 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.2 t -128.22 131.51 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.61 -0.681 . . . . 0.0 109.384 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.34 139.42 46.76 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLU . 95.5 m-85 -105.02 145.81 29.93 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.51 -0.744 . . . . 0.0 110.654 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' PHE . 98.5 mt-10 35.47 62.98 0.56 Allowed 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 121.32 0.581 . . . . 0.0 110.776 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.5 p -90.32 127.02 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 108.704 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -82.36 120.17 25.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.247 -0.908 . . . . 0.0 110.04 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.566 ' CD2' ' HZ3' ' A' ' 46' ' ' LYS . 90.4 mt -134.1 132.24 39.69 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.35 130.7 43.9 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.411 -0.806 . . . . 0.0 109.674 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -74.64 -14.57 60.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.542 -0.724 . . . . 0.0 109.679 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -79.94 -2.43 43.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 0.0 109.406 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.1 mt -80.81 154.14 27.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.24 -0.912 . . . . 0.0 109.558 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.509 ' OG1' ' NE2' ' A' ' 42' ' ' GLN . 6.4 p -80.31 173.83 12.21 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.314 1.054 . . . . 0.0 110.492 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.47 -42.43 83.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 N-CA-C 102.066 -3.309 . . . . 0.0 102.066 173.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.5 -50.76 59.27 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 113.144 -1.844 . . . . 0.0 108.894 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.509 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.2 mp0 -67.15 -38.53 85.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.06 -1.025 . . . . 0.0 108.708 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.27 -44.49 96.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.327 -0.858 . . . . 0.0 109.431 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.65 -40.82 98.22 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -61.68 -46.73 88.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.287 -0.883 . . . . 0.0 109.033 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.566 ' HZ3' ' CD2' ' A' ' 34' ' ' LEU . 38.3 ttmt -63.87 -46.47 84.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.207 -0.933 . . . . 0.0 109.177 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.5 -35.61 81.51 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.59 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.2 tt0 -58.59 -39.88 81.61 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.38 -43.69 97.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.7 tp -64.61 -41.78 95.97 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 121.332 0.587 . . . . 0.0 110.22 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.2 p -93.12 -11.24 33.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.131 -0.981 . . . . 0.0 109.682 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 53.35 16.76 5.16 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.61 -147.28 22.4 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -113.91 125.13 53.7 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.651 -0.911 . . . . 0.0 109.847 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.72 -34.77 79.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.425 -0.797 . . . . 0.0 110.006 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.07 -37.78 93.31 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -97.98 2.27 48.77 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.057 -1.26 . . . . 0.0 109.751 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.3 ttm -79.69 138.55 37.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.375 -0.828 . . . . 0.0 109.793 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -123.19 139.21 54.29 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.7 t -114.36 131.67 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -130.67 123.82 30.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.494 -0.754 . . . . 0.0 109.708 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.452 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 21.2 t -85.83 131.86 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.595 -0.691 . . . . 0.0 109.421 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -129.24 144.59 51.28 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-O 121.819 0.818 . . . . 0.0 110.292 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -147.97 80.44 1.48 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.97 -136.53 12.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -94.66 6.55 48.57 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.395 -1.062 . . . . 0.0 110.278 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.6 m -126.51 136.31 52.44 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.394 -0.816 . . . . 0.0 110.23 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 62' ' ' VAL . 48.8 t -78.03 122.73 25.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.523 -0.736 . . . . 0.0 109.322 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.26 -49.43 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.272 -0.893 . . . . 0.0 110.2 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.1 p -172.51 164.09 5.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.148 -0.97 . . . . 0.0 109.788 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.1 m -118.04 127.49 53.85 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -67.7 90.11 0.27 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.236 -0.915 . . . . 0.0 109.843 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.414 ' O ' ' OD1' ' A' ' 73' ' ' ASP . 67.3 t0 -93.67 -30.24 15.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.438 -0.789 . . . . 0.0 109.714 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -90.86 111.43 22.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.293 -0.879 . . . . 0.0 109.648 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 51.8 p-10 -72.35 -19.13 61.69 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.341 -0.849 . . . . 0.0 109.857 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 23.9 p30 -88.01 0.09 56.37 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.363 -0.835 . . . . 0.0 109.646 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.1 153.9 27.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 109.574 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -81.87 157.01 24.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.381 -0.824 . . . . 0.0 110.301 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.5 tp -62.51 -41.9 99.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.5 -0.75 . . . . 0.0 109.678 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.66 -5.48 51.14 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -62.32 -46.42 88.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -1.158 . . . . 0.0 108.712 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -106.21 -29.33 9.9 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.607 -0.683 . . . . 0.0 109.275 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.71 69.61 1.61 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.521 -0.737 . . . . 0.0 109.215 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -98.16 7.14 46.71 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.359 -0.838 . . . . 0.0 109.505 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 t -141.67 145.72 35.27 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.327 -0.858 . . . . 0.0 109.473 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.4 p30 -83.02 169.69 15.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.335 -0.853 . . . . 0.0 110.025 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.4 -5.94 84.22 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -75.9 153.76 36.48 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.331 -1.099 . . . . 0.0 109.208 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -115.03 129.37 56.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.492 -0.755 . . . . 0.0 109.374 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.66 126.98 53.57 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -114.29 120.41 40.31 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.49 0.662 . . . . 0.0 109.539 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -93.48 131.12 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.595 -0.691 . . . . 0.0 109.368 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 49.1 t -118.08 113.31 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -102.15 111.59 23.94 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.549 -0.719 . . . . 0.0 109.77 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.906 -1.045 . . . . 0.0 109.42 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.7 mtp . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.497 0.665 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.64 18.67 51.88 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.622 ' HD1' ' CE1' ' A' ' 4' ' ' HIS . 57.6 t-80 -60.78 -41.21 95.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.338 -1.095 . . . . 0.0 109.525 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.622 ' CE1' ' HD1' ' A' ' 3' ' ' HIS . 78.6 m80 -100.84 114.51 28.39 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.309 -0.87 . . . . 0.0 109.925 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 54.45 105.81 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.724 0.773 . . . . 0.0 110.285 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -71.88 -18.78 62.02 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.504 -0.748 . . . . 0.0 109.004 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -151.45 163.78 38.23 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.282 -0.886 . . . . 0.0 110.083 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -144.02 126.98 16.39 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.219 -0.925 . . . . 0.0 109.797 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -61.93 -42.68 99.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.402 -0.811 . . . . 0.0 109.741 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -146.4 145.1 30.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.148 -0.97 . . . . 0.0 109.77 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.49 -128.59 2.38 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -75.3 144.37 42.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.489 -1.007 . . . . 0.0 110.17 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 t -70.75 107.41 3.95 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.609 -0.682 . . . . 0.0 110.06 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -103.17 69.05 1.0 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.454 -0.779 . . . . 0.0 109.426 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -129.74 147.17 51.49 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.551 -0.718 . . . . 0.0 109.576 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.2 pt -132.48 147.11 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.479 -0.763 . . . . 0.0 109.767 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -90.56 127.75 36.36 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.703 0.763 . . . . 0.0 110.274 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.1 162.06 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.476 -0.765 . . . . 0.0 109.949 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -100.4 138.14 37.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.461 -0.775 . . . . 0.0 109.237 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -125.2 132.78 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 CA-C-O 121.606 0.717 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.7 p -136.92 162.67 32.62 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.656 0.741 . . . . 0.0 109.656 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -143.39 139.79 30.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.391 -0.818 . . . . 0.0 109.431 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.3 m -60.41 -38.93 85.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.567 -0.708 . . . . 0.0 110.122 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.421 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 76.4 m80 -100.55 159.94 14.75 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.274 -0.891 . . . . 0.0 110.64 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m120 60.57 145.18 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.83 0.824 . . . . 0.0 109.942 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -85.08 9.34 15.08 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 0.0 108.749 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.84 107.3 1.77 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.529 -0.732 . . . . 0.0 109.625 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -131.46 133.78 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.86 139.29 42.67 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.516 -0.74 . . . . 0.0 109.17 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 31' ' ' GLU . 69.3 m-85 -111.83 145.59 39.17 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.686 -0.634 . . . . 0.0 110.266 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' PHE . 16.2 pt-20 33.52 45.11 0.08 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.4 0.619 . . . . 0.0 110.791 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.0 p -78.41 126.41 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -84.75 136.66 33.61 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.641 0.734 . . . . 0.0 110.574 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -137.1 142.89 42.32 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.477 -0.764 . . . . 0.0 109.611 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.39 138.19 51.1 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.745 0.783 . . . . 0.0 109.482 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -75.09 -15.0 60.63 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.466 -0.771 . . . . 0.0 109.82 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.11 -1.35 43.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 109.436 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -76.48 143.42 40.5 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.143 -0.973 . . . . 0.0 110.231 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.4 p -85.67 165.53 16.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.421 -0.799 . . . . 0.0 110.47 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.498 ' CG1' ' HZ2' ' A' ' 44' ' ' LYS . 73.0 t -65.46 -43.52 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.68 -0.638 . . . . 0.0 110.09 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.93 98.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.191 -0.943 . . . . 0.0 109.836 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.412 ' O ' ' OG1' ' A' ' 45' ' ' THR . 86.1 mt-30 -63.26 -35.13 79.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.337 -0.852 . . . . 0.0 109.324 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.85 -39.48 94.31 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.551 -0.718 . . . . 0.0 109.381 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.498 ' HZ2' ' CG1' ' A' ' 40' ' ' VAL . 14.4 mptt -62.05 -42.8 99.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.478 -0.764 . . . . 0.0 109.276 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 64.4 p -59.66 -44.21 93.65 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.233 -0.917 . . . . 0.0 109.61 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -62.98 -43.18 99.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 109.473 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.58 -38.54 89.82 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.452 -0.78 . . . . 0.0 109.361 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.7 tt0 -56.78 -37.43 71.1 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.2 mm -68.6 -43.58 83.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.411 -0.806 . . . . 0.0 108.967 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.33 -40.84 96.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.435 -0.79 . . . . 0.0 110.146 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.2 p -94.15 -14.93 25.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.061 -1.024 . . . . 0.0 109.367 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 63.36 19.75 62.46 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.86 -145.84 16.55 Favored Glycine 0 N--CA 1.494 2.556 0 O-C-N 121.248 -1.148 . . . . 0.0 110.292 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 m -123.89 132.38 53.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.586 -0.949 . . . . 0.0 109.434 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.46 -13.83 60.4 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.685 -0.635 . . . . 0.0 109.607 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.59 -0.98 64.56 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.403 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.0 OUTLIER -146.46 17.85 1.33 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.415 -1.05 . . . . 0.0 108.29 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.7 ttm -87.71 132.85 33.98 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.448 -0.782 . . . . 0.0 110.628 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' C ' HE22 ' A' ' 61' ' ' GLN . 52.9 mtpt -127.02 133.75 50.47 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.4 t -119.99 134.4 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.53 -0.731 . . . . 0.0 109.238 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.488 ' N ' ' CD ' ' A' ' 61' ' ' GLN . 19.2 mp0 -127.51 132.49 49.94 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.509 0.671 . . . . 0.0 109.214 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.5 t -83.56 134.14 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.53 -0.731 . . . . 0.0 109.837 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -126.67 144.65 50.85 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.89 0.852 . . . . 0.0 109.859 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -144.3 87.89 1.91 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.27 -127.56 8.01 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 34.6 p-10 -100.91 11.72 39.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -1.097 . . . . 0.0 109.114 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.1 m -130.01 130.67 45.28 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.757 0.789 . . . . 0.0 110.266 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.5 t -79.23 124.69 28.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.448 -0.782 . . . . 0.0 109.721 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 70' ' ' SER . 88.3 t -65.97 -45.68 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.351 -0.843 . . . . 0.0 109.596 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 166.75 177.02 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.261 -0.899 . . . . 0.0 109.905 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 89.9 m -114.79 130.32 56.84 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.625 0.726 . . . . 0.0 109.515 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt -65.64 84.39 0.07 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.463 -0.773 . . . . 0.0 109.784 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.48 -20.06 21.36 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.613 -0.68 . . . . 0.0 109.414 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -89.5 104.99 17.5 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.07 -1.019 . . . . 0.0 109.937 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.94 -34.16 74.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.6 -0.688 . . . . 0.0 109.446 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 38.9 p-10 -77.32 -2.23 33.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.402 -0.811 . . . . 0.0 109.721 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.37 148.94 25.36 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.258 -0.901 . . . . 0.0 110.032 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -80.13 165.59 22.32 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.839 0.828 . . . . 0.0 110.615 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.46 -41.47 98.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.601 -0.687 . . . . 0.0 109.467 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.75 -3.88 51.6 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -62.5 -44.96 95.11 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.343 -1.093 . . . . 0.0 109.434 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -105.26 -27.73 11.36 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.477 -0.764 . . . . 0.0 109.078 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.42 80.63 2.1 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.434 -0.791 . . . . 0.0 109.318 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -101.88 11.69 38.21 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -146.43 147.94 31.77 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.275 -0.89 . . . . 0.0 109.975 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -82.55 167.68 18.11 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.351 -0.843 . . . . 0.0 110.592 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.84 -3.4 82.97 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.84 152.02 38.98 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.365 -1.08 . . . . 0.0 110.023 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -120.82 131.13 54.28 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.576 -0.703 . . . . 0.0 109.6 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -107.27 132.25 53.3 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -110.71 118.82 37.2 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.527 0.679 . . . . 0.0 109.498 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.3 t -91.17 130.11 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.695 -0.628 . . . . 0.0 109.613 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.05 103.04 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.421 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 39.2 p-10 -102.56 111.67 24.08 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.635 -0.666 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 117.979 -1.01 . . . . 0.0 108.964 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.365 0.603 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.81 -39.16 94.99 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 -153.87 148.27 26.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -1.172 . . . . 0.0 109.695 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -134.3 -37.45 0.87 Allowed 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.47 ' HD1' ' CE1' ' A' ' 8' ' ' HIS . 97.6 m-70 46.62 90.12 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.311 -0.868 . . . . 0.0 110.107 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.691 ' CD2' ' HD1' ' A' ' 7' ' ' HIS . 61.1 t60 -65.42 -48.13 73.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.481 -0.762 . . . . 0.0 109.439 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.691 ' HD1' ' CD2' ' A' ' 6' ' ' HIS . 40.8 m80 -153.62 139.16 17.76 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.111 -0.993 . . . . 0.0 110.005 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' A' ' 7' ' ' HIS . 52.1 m80 -154.11 -3.66 0.18 Allowed 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.2 p -152.33 135.13 15.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 0.0 109.314 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.529 ' HD1' ' H ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -107.49 123.4 48.36 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.548 -0.72 . . . . 0.0 109.943 -179.849 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.61 -173.42 54.44 Favored Glycine 0 N--CA 1.491 2.302 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.117 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt 47.92 30.29 1.93 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.663 -0.904 . . . . 0.0 110.214 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.8 p -73.66 163.64 27.72 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.129 -0.982 . . . . 0.0 110.229 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -131.79 57.61 1.77 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.569 -0.707 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.95 145.92 52.19 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.6 pt -133.17 160.92 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.511 -0.743 . . . . 0.0 109.971 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -116.8 120.74 39.49 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.92 168.02 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.536 -0.728 . . . . 0.0 109.718 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -98.89 141.67 31.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.495 -0.753 . . . . 0.0 109.461 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.9 t -122.97 132.91 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.524 -0.735 . . . . 0.0 109.426 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.9 t -150.69 178.13 9.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.458 -0.776 . . . . 0.0 109.618 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -147.61 167.15 25.3 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.304 -0.873 . . . . 0.0 109.849 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.8 t -63.01 -42.35 99.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.526 -0.734 . . . . 0.0 110.032 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -68.81 -10.52 57.24 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.224 -0.923 . . . . 0.0 108.611 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER 50.92 -121.38 1.77 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.58 -0.7 . . . . 0.0 109.908 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.506 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 99.1 m-20 57.32 -68.99 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.391 0.615 . . . . 0.0 109.939 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . -97.25 118.44 33.71 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.328 -0.858 . . . . 0.0 109.811 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.23 133.71 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.47 129.33 55.56 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -111.02 148.13 33.24 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.562 0.696 . . . . 0.0 110.204 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 55.43 60.81 3.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.723 -0.611 . . . . 0.0 110.337 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 1.6 m -85.95 129.81 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 121.086 -1.009 . . . . 0.0 109.414 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -107.01 106.13 16.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.318 -0.863 . . . . 0.0 108.803 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.2 mt -127.15 144.13 51.11 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.482 -0.761 . . . . 0.0 109.193 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.31 144.11 42.59 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.525 -0.734 . . . . 0.0 110.359 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -72.84 -12.99 61.19 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.548 -0.72 . . . . 0.0 109.588 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -81.1 -0.79 41.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.276 -0.89 . . . . 0.0 109.743 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.5 142.3 37.55 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.878 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.5 p -84.66 165.87 17.55 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.304 -0.873 . . . . 0.0 110.267 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.22 -43.35 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.591 -0.693 . . . . 0.0 109.605 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.05 96.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.269 -0.895 . . . . 0.0 109.579 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.78 -36.47 82.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 0.0 108.962 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.92 -42.6 99.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.391 -0.818 . . . . 0.0 109.137 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -63.11 -38.37 90.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.504 -0.747 . . . . 0.0 109.489 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.0 m -59.93 -46.25 89.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.376 -0.828 . . . . 0.0 109.148 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.66 -43.68 96.02 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.297 -0.877 . . . . 0.0 109.223 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.87 -38.85 92.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.363 -0.836 . . . . 0.0 109.327 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.7 tt0 -54.78 -48.05 73.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.298 -0.876 . . . . 0.0 109.257 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.75 -43.51 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.9 . . . . 0.0 109.431 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.21 -41.7 96.93 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.469 -0.769 . . . . 0.0 110.483 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.6 p -94.56 -13.64 25.81 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.991 -1.068 . . . . 0.0 109.365 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.84 11.32 53.97 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.52 -159.41 23.55 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.2 m -118.89 122.17 41.68 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.657 -0.908 . . . . 0.0 109.336 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.94 68.65 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.515 -0.741 . . . . 0.0 109.777 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.83 -5.79 33.62 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 t -140.73 1.92 1.75 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.168 -1.196 . . . . 0.0 109.332 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.2 ttm -78.94 139.43 38.25 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 110.193 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -124.71 141.09 52.35 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.565 -0.709 . . . . 0.0 109.602 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.3 t -115.17 132.32 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.675 -0.641 . . . . 0.0 109.327 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -127.87 130.49 48.64 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.14 132.58 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.397 -0.814 . . . . 0.0 109.565 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -127.05 144.88 50.91 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.759 0.79 . . . . 0.0 110.109 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -141.31 82.62 1.83 Allowed 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.41 -129.03 9.06 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -96.87 3.98 51.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.469 -1.018 . . . . 0.0 109.603 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.1 m -126.26 132.71 51.64 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.45 -0.781 . . . . 0.0 110.461 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 p -80.77 125.2 29.77 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.507 -0.745 . . . . 0.0 110.047 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.449 ' O ' ' OG ' ' A' ' 70' ' ' SER . 11.2 t -66.05 -44.88 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.406 -0.809 . . . . 0.0 109.31 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' A' ' 69' ' ' VAL . 2.2 m 171.4 179.16 0.06 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.433 -0.792 . . . . 0.0 109.345 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 99.1 m -119.0 130.43 55.68 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.431 0.634 . . . . 0.0 109.64 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.3 mtt -63.81 84.98 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.588 -0.695 . . . . 0.0 109.603 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 28.5 p30 -93.57 -19.92 20.73 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.466 -0.771 . . . . 0.0 109.678 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 55.3 t-20 -95.42 106.35 18.4 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.162 -0.961 . . . . 0.0 110.065 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -67.47 -35.48 79.27 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.713 -0.617 . . . . 0.0 110.025 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -73.88 -4.49 35.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 110.115 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.87 153.8 27.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.126 -0.984 . . . . 0.0 110.509 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -81.57 162.38 23.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.584 -0.698 . . . . 0.0 110.477 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.5 tp -63.12 -41.8 99.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.471 -0.768 . . . . 0.0 109.714 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.88 -3.67 56.29 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -63.08 -44.98 94.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.337 -1.096 . . . . 0.0 109.598 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -106.26 -31.0 8.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.501 -0.75 . . . . 0.0 109.426 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.43 77.65 1.3 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.476 -0.765 . . . . 0.0 109.178 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -100.22 5.86 44.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.439 -0.788 . . . . 0.0 109.397 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.2 m -134.63 149.09 50.52 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.365 -0.834 . . . . 0.0 109.807 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -84.86 171.56 12.12 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.435 -0.791 . . . . 0.0 110.377 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.79 -1.88 87.94 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.6 mt -78.89 160.38 27.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.369 -1.077 . . . . 0.0 110.081 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -126.18 135.87 52.16 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.481 0.657 . . . . 0.0 109.685 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.1 mt -107.86 129.91 55.04 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -112.32 114.58 27.41 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.0 t -96.57 126.98 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.373 -0.83 . . . . 0.0 109.427 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.59 117.08 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -112.92 145.46 40.71 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.408 0.623 . . . . 0.0 109.942 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.008 179.683 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.1 ttp . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.308 0.575 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.9 -131.89 46.12 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -150.22 164.7 35.03 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.257 -1.143 . . . . 0.0 109.711 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -82.98 133.84 35.09 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.43 -0.794 . . . . 0.0 110.194 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -78.63 160.65 27.43 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.469 -0.77 . . . . 0.0 110.429 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 57.87 95.43 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 121.312 0.577 . . . . 0.0 110.078 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -150.52 164.49 35.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.48 -0.763 . . . . 0.0 109.624 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.577 ' CD2' ' H ' ' A' ' 9' ' ' SER . 86.4 t60 49.16 -111.24 0.45 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.536 -0.728 . . . . 0.0 110.27 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.577 ' H ' ' CD2' ' A' ' 8' ' ' HIS . 24.7 p -157.45 163.12 38.84 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.212 -0.93 . . . . 0.0 109.735 -179.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -144.87 160.37 41.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.432 -0.793 . . . . 0.0 109.436 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.4 -99.86 0.27 Allowed Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -156.11 114.34 3.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.18 -1.188 . . . . 0.0 109.578 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.8 m -145.19 -61.17 0.35 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.47 -0.769 . . . . 0.0 109.047 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -89.12 1.31 55.8 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.453 -0.779 . . . . 0.0 109.565 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -111.03 146.71 36.23 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.555 -0.716 . . . . 0.0 110.105 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.2 pt -127.23 159.87 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -101.35 119.75 39.23 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.312 -0.868 . . . . 0.0 109.619 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -138.55 165.17 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.532 -0.73 . . . . 0.0 109.636 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -102.04 142.54 33.15 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.621 -0.674 . . . . 0.0 109.523 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -125.83 135.08 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.624 -0.672 . . . . 0.0 109.188 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 96.5 p -145.27 166.16 26.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.337 -0.852 . . . . 0.0 108.871 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.7 p30 -143.02 154.28 43.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.237 -0.914 . . . . 0.0 109.935 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 m -62.51 -41.77 99.06 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.574 -0.704 . . . . 0.0 110.17 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 25' ' ' ASN . 75.9 m80 -91.66 153.15 19.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.136 -0.977 . . . . 0.0 110.62 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' HIS . 75.0 m-20 59.08 143.2 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.673 0.749 . . . . 0.0 110.599 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.8 4.08 34.68 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.84 109.23 0.6 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.494 -0.754 . . . . 0.0 109.664 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -126.15 133.36 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.525 -0.734 . . . . 0.0 109.228 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.8 139.79 36.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -118.49 143.62 46.6 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.504 -0.748 . . . . 0.0 110.296 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 48.24 51.41 14.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.561 -0.712 . . . . 0.0 109.573 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.8 p -84.44 125.46 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.343 -0.848 . . . . 0.0 109.587 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -81.85 120.16 24.83 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.309 -0.869 . . . . 0.0 109.994 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.3 mt -135.58 138.3 42.84 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.478 -0.764 . . . . 0.0 109.246 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.36 127.82 33.84 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.438 -0.789 . . . . 0.0 109.803 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -75.39 -11.74 60.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.58 -0.7 . . . . 0.0 109.834 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -80.46 -1.11 40.19 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.197 -0.939 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -77.19 149.84 35.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.349 -0.845 . . . . 0.0 111.008 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.418 ' OG1' ' OE1' ' A' ' 42' ' ' GLN . 17.1 p -83.17 165.27 19.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.497 -0.752 . . . . 0.0 110.292 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.51 -43.71 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.502 -0.749 . . . . 0.0 109.933 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.16 98.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.239 -0.913 . . . . 0.0 110.066 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.418 ' OE1' ' OG1' ' A' ' 39' ' ' THR . 85.7 mt-30 -65.26 -34.66 78.87 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.203 -0.936 . . . . 0.0 109.21 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.74 -41.01 98.97 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.389 -0.819 . . . . 0.0 109.044 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.82 -40.08 91.38 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.336 -0.852 . . . . 0.0 109.103 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m -61.21 -45.9 92.66 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.289 -0.882 . . . . 0.0 109.272 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -63.58 -43.51 96.79 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.317 -0.864 . . . . 0.0 109.142 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.15 -38.91 93.05 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.9 tt0 -54.08 -46.23 71.96 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.248 -0.907 . . . . 0.0 109.45 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.12 -43.43 98.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 120.717 -1.24 . . . . 0.0 108.979 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.04 -45.21 82.25 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.323 -0.86 . . . . 0.0 111.355 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.5 p -107.1 -47.23 3.73 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.157 -0.965 . . . . 0.0 110.352 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 76.64 23.76 69.25 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.81 34.32 2.98 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.5 m 64.96 109.46 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.652 -0.91 . . . . 0.0 110.184 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.76 78.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.753 -0.592 . . . . 0.0 109.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.88 -34.79 90.83 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 m -98.56 -11.57 22.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.161 -1.199 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.5 ttm -68.87 140.33 55.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 109.801 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -127.23 146.5 50.4 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.594 -0.691 . . . . 0.0 109.233 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.9 t -114.03 131.9 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.608 -0.683 . . . . 0.0 109.172 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -133.63 133.09 41.54 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.2 t -90.01 132.55 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.379 -0.826 . . . . 0.0 109.428 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -128.8 147.78 50.82 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.664 -0.648 . . . . 0.0 109.502 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -142.51 95.84 2.85 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.73 -96.44 1.29 Allowed Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -133.74 24.16 3.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.507 -0.996 . . . . 0.0 109.171 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.4 t -140.01 144.39 36.91 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.352 -0.843 . . . . 0.0 110.173 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.33 120.4 30.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.543 -0.723 . . . . 0.0 109.974 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.458 ' O ' ' OG ' ' A' ' 70' ' ' SER . 77.3 t -65.38 -44.9 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.248 -0.907 . . . . 0.0 109.142 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 69' ' ' VAL . 2.7 m 172.61 170.31 0.12 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.507 -0.746 . . . . 0.0 109.081 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' ASP . 53.7 m -110.96 128.4 55.82 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.632 -0.668 . . . . 0.0 109.307 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.3 mtt -63.19 83.25 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.24 -0.913 . . . . 0.0 109.302 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 48.0 p-10 -90.93 -23.4 20.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.39 -0.819 . . . . 0.0 109.305 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 25.7 t-20 -95.57 105.37 17.34 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.324 -0.86 . . . . 0.0 109.851 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.431 ' C ' ' H ' ' A' ' 77' ' ' ALA . 10.9 m120 -65.49 -37.75 87.73 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.629 -0.669 . . . . 0.0 109.73 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -62.87 -3.89 1.84 Allowed 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.287 -0.883 . . . . 0.0 109.238 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' A' ' 75' ' ' ASN . . . -82.27 154.07 25.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.337 -0.852 . . . . 0.0 109.985 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -90.46 162.43 15.08 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.34 -0.85 . . . . 0.0 110.226 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.2 tp -64.22 -40.07 95.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.598 -0.689 . . . . 0.0 109.679 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.84 -6.22 71.97 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -62.93 -44.25 96.59 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.488 -1.007 . . . . 0.0 109.23 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -106.48 -27.79 10.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.624 -0.672 . . . . 0.0 109.347 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.8 64.4 1.08 Allowed 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.9 p30 -96.29 8.37 44.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.471 -0.768 . . . . 0.0 109.565 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -137.66 141.19 41.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.305 -0.872 . . . . 0.0 109.703 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.55 162.08 24.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.493 -0.755 . . . . 0.0 110.469 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.58 -1.24 75.35 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.1 mt -77.16 155.77 32.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.304 -1.115 . . . . 0.0 110.072 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -116.01 125.92 53.12 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -105.05 131.1 52.98 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -119.5 128.67 54.19 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.4 t -101.99 130.34 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 88.8 t -111.41 110.82 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.656 -0.653 . . . . 0.0 109.324 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -96.99 141.05 30.62 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.476 -0.765 . . . . 0.0 109.738 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.91 179.884 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 121.492 0.663 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.43 -5.29 83.85 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -67.8 -39.86 83.95 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.827 -0.808 . . . . 0.0 109.849 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -71.86 137.77 47.75 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.603 0.716 . . . . 0.0 109.988 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.556 ' C ' ' H ' ' A' ' 7' ' ' HIS . 98.3 m-70 -96.09 167.39 11.25 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.345 0.593 . . . . 0.0 110.047 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 68.09 -37.55 0.34 Allowed 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.556 ' H ' ' C ' ' A' ' 5' ' ' HIS . 72.0 m80 -66.62 -42.11 87.32 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -94.58 -168.03 1.76 Allowed 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.701 0.762 . . . . 0.0 110.143 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 m -73.86 171.68 12.94 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.53 0.681 . . . . 0.0 110.726 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.2 t60 59.21 84.56 0.11 Allowed 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.622 0.725 . . . . 0.0 110.148 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.78 -121.89 0.8 Allowed Glycine 0 N--CA 1.489 2.2 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.4 tttp 57.24 101.93 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.638 0.732 . . . . 0.0 110.005 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.2 p -159.95 86.9 0.78 Allowed 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.674 0.749 . . . . 0.0 109.398 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -101.93 51.99 0.82 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -129.73 145.24 51.55 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.584 0.707 . . . . 0.0 109.135 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 pt -128.31 152.38 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 CA-C-O 121.708 0.766 . . . . 0.0 110.263 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -99.16 118.28 35.54 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.725 0.774 . . . . 0.0 110.417 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.13 165.75 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 CA-C-O 121.653 0.74 . . . . 0.0 109.923 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' A' ' 20' ' ' VAL . 61.2 t-20 -101.89 141.82 34.15 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.541 0.686 . . . . 0.0 109.675 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.511 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 54.9 t -124.68 133.42 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.918 0.866 . . . . 0.0 109.623 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 t -135.15 148.37 49.71 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.596 0.712 . . . . 0.0 109.832 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -119.48 133.02 55.88 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.788 0.804 . . . . 0.0 109.549 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.8 t -63.54 -44.48 94.06 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.934 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -116.97 82.24 1.77 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.63 0.729 . . . . 0.0 110.162 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.542 ' C ' ' H ' ' A' ' 27' ' ' ALA . 1.9 t30 -175.22 -24.03 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.0 t0 62.75 -0.56 0.55 Allowed 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.542 ' H ' ' C ' ' A' ' 25' ' ' ASN . . . -95.04 129.78 41.99 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.642 0.735 . . . . 0.0 110.21 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -129.71 132.01 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-O 121.601 0.715 . . . . 0.0 110.056 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.14 136.47 44.58 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.444 0.64 . . . . 0.0 109.476 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -116.18 142.25 47.07 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.933 0.873 . . . . 0.0 111.197 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 51.75 48.72 22.28 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.468 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 6.2 p -90.77 116.56 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-O 121.774 0.797 . . . . 0.0 109.728 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -83.2 130.42 35.09 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.852 0.834 . . . . 0.0 109.899 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.4 mt -139.61 142.0 37.1 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.664 0.745 . . . . 0.0 109.588 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.31 129.2 39.0 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.817 0.818 . . . . 0.0 110.015 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -75.51 -15.4 60.4 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.958 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -80.92 -2.07 46.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.741 -0.599 . . . . 0.0 109.66 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.3 mt -76.56 145.57 38.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 109.982 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.2 p -85.81 166.38 16.1 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 121.622 0.725 . . . . 0.0 110.106 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.54 -43.45 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 CA-C-O 121.173 0.511 . . . . 0.0 109.779 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.61 -44.55 89.95 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.753 -0.592 . . . . 0.0 109.598 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.42 ' O ' ' OG1' ' A' ' 45' ' ' THR . 86.6 mt-30 -66.19 -41.15 90.64 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.757 -0.59 . . . . 0.0 109.447 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.81 -38.56 89.27 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.02 -42.54 90.4 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.792 -0.568 . . . . 0.0 109.526 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 66.9 p -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.35 -41.8 98.86 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.61 -38.45 91.05 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 52' ' ' GLY . 12.0 tm-20 -54.27 -47.36 72.41 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.876 -0.515 . . . . 0.0 109.926 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 92.0 mt -66.16 -42.84 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.61 -41.95 98.25 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.971 -0.456 . . . . 0.0 110.318 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 p -94.03 -16.52 23.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.633 -0.667 . . . . 0.0 109.452 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.38 15.49 61.39 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.18 -157.27 31.84 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -111.87 123.28 49.91 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.612 0.72 . . . . 0.0 109.49 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 -23.19 67.17 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 121.226 0.536 . . . . 0.0 109.808 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.9 -42.14 99.54 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -106.55 10.91 31.09 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.498 -1.001 . . . . 0.0 109.897 -178.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.6 ttm -77.69 135.64 38.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.447 -0.783 . . . . 0.0 110.169 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -131.09 138.17 49.43 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.588 0.709 . . . . 0.0 109.641 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.3 t -110.51 131.44 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-O 121.617 0.723 . . . . 0.0 109.495 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -133.57 123.58 25.38 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.734 0.778 . . . . 0.0 109.789 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.6 t -78.07 134.31 28.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-O 121.569 0.699 . . . . 0.0 109.577 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.419 ' CE1' ' SG ' ' A' ' 68' ' ' CYS . 21.0 m-85 -126.38 146.74 49.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.06 0.933 . . . . 0.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -152.93 95.86 2.03 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.19 -129.44 10.6 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.6 p30 -98.9 7.53 45.93 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 122.089 -0.653 . . . . 0.0 109.351 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.6 m -129.36 134.58 47.95 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.89 0.853 . . . . 0.0 110.903 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.419 ' SG ' ' CE1' ' A' ' 63' ' ' PHE . 3.8 m -82.65 124.73 30.46 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.329 0.585 . . . . 0.0 109.469 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.6 t -66.7 -50.04 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.886 -0.509 . . . . 0.0 110.159 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -174.55 170.32 3.51 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.766 0.793 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.7 m -116.34 127.19 54.45 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.445 0.64 . . . . 0.0 109.405 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.4 mtt -68.75 65.12 0.12 Allowed 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.481 0.658 . . . . 0.0 109.421 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -82.19 -7.09 59.61 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.63 110.08 21.9 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.736 0.779 . . . . 0.0 109.523 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 43.7 p-10 -75.06 -17.07 60.54 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 36.2 p30 -93.44 -2.34 54.67 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.97 151.98 28.22 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.703 0.763 . . . . 0.0 110.462 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -85.15 159.8 20.07 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.617 0.722 . . . . 0.0 110.452 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.14 -39.8 94.8 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.37 -9.33 77.33 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -62.99 -44.5 95.87 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.723 -0.869 . . . . 0.0 109.126 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -104.8 -25.97 12.43 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.34 70.55 0.97 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.587 -0.696 . . . . 0.0 109.135 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.0 p30 -97.24 12.01 34.41 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.1 t -149.48 149.25 30.47 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.707 0.765 . . . . 0.0 110.065 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -83.52 167.83 17.03 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.481 0.657 . . . . 0.0 110.251 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.05 -1.95 85.17 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.66 154.24 34.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.826 -0.808 . . . . 0.0 110.274 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -122.18 128.7 51.54 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.759 0.79 . . . . 0.0 109.997 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.1 mt -104.58 131.47 51.95 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.431 0.634 . . . . 0.0 109.832 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -114.63 116.85 29.39 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.642 0.735 . . . . 0.0 109.62 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 87.1 t -90.91 132.26 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 121.419 0.628 . . . . 0.0 109.698 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -118.77 116.24 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 CA-C-O 121.759 0.79 . . . . 0.0 109.553 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -112.47 111.95 23.16 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.582 0.706 . . . . 0.0 110.036 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.66 179.278 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.93 -165.22 32.01 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -66.01 -35.49 80.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.394 -1.063 . . . . 0.0 109.682 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.488 ' C ' ' H ' ' A' ' 6' ' ' HIS . 78.0 m80 -69.94 158.95 34.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.89 . . . . 0.0 110.527 -179.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 57.45 6.06 0.36 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.486 -0.759 . . . . 0.0 109.352 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.488 ' H ' ' C ' ' A' ' 4' ' ' HIS . 96.4 m-70 -145.1 62.43 1.3 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.325 -0.86 . . . . 0.0 108.942 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -65.91 -42.69 89.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.484 -0.76 . . . . 0.0 109.506 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 30.4 p-80 -141.78 119.71 11.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.346 -0.846 . . . . 0.0 109.623 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.441 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 33.2 t -167.38 85.54 0.24 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.22 -0.925 . . . . 0.0 108.754 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 9' ' ' SER . 98.9 m-70 -155.35 -160.34 1.03 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.12 -0.988 . . . . 0.0 109.787 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.83 160.34 6.89 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -65.53 -81.01 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.597 -0.943 . . . . 0.0 109.695 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 t -75.65 147.98 39.07 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.308 -0.87 . . . . 0.0 110.485 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.519 ' OD1' ' NZ ' ' A' ' 36' ' ' LYS . 31.2 t70 -171.46 44.48 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -129.06 147.02 50.88 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.506 -0.746 . . . . 0.0 109.243 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.9 pt -137.68 154.42 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.306 -0.871 . . . . 0.0 109.33 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -112.04 129.85 56.07 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.482 -0.761 . . . . 0.0 109.329 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 m -140.96 163.82 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.214 -0.929 . . . . 0.0 109.144 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -98.35 144.37 27.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.356 -0.84 . . . . 0.0 109.029 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.3 t -122.18 133.3 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.408 -0.807 . . . . 0.0 108.99 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.3 t -134.05 152.75 51.97 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -135.47 145.0 46.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.35 -0.844 . . . . 0.0 109.98 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.7 m -60.8 -41.32 95.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.542 -0.724 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -93.26 148.8 21.72 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.979 -1.075 . . . . 0.0 110.463 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 58.7 t-20 61.23 141.87 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.6 0.714 . . . . 0.0 110.246 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 94.8 m-20 -82.47 10.6 6.89 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.87 108.3 0.84 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.886 . . . . 0.0 109.717 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.4 t -126.01 134.03 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 121.429 -0.795 . . . . 0.0 109.132 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.81 145.8 28.67 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.437 -0.79 . . . . 0.0 108.904 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' GLU . 92.3 m-85 -113.18 140.09 48.22 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.409 -0.807 . . . . 0.0 110.198 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' PHE . 71.7 mm-40 36.7 73.36 0.09 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.36 0.6 . . . . 0.0 110.724 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 32' ' ' VAL . 3.7 m -86.86 123.77 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.163 -0.961 . . . . 0.0 109.642 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -81.52 117.31 21.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.068 -1.02 . . . . 0.0 109.591 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -137.52 137.33 38.51 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.146 -0.971 . . . . 0.0 109.452 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.44 141.9 50.26 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.438 -0.789 . . . . 0.0 109.963 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.519 ' NZ ' ' OD1' ' A' ' 14' ' ' ASP . 7.9 mtmp? -73.78 -13.72 60.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.826 . . . . 0.0 109.877 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -78.48 -1.32 33.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.325 -0.859 . . . . 0.0 109.405 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.67 142.6 35.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.193 -0.942 . . . . 0.0 110.138 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 p -86.93 169.39 12.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.253 -0.904 . . . . 0.0 109.587 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.36 -43.13 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 0.0 109.219 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.85 79.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.08 -1.013 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -64.92 -39.48 93.58 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.341 -0.849 . . . . 0.0 109.276 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.9 -41.3 99.39 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.351 -0.843 . . . . 0.0 109.413 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.03 -38.8 87.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 0.0 109.473 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.9 m -60.09 -47.51 85.59 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.188 -0.945 . . . . 0.0 109.899 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.18 -42.14 96.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.947 -1.096 . . . . 0.0 109.318 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.41 -38.66 92.0 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.278 -0.889 . . . . 0.0 108.77 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' GLY . 84.6 tt0 -53.98 -44.64 70.99 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.35 -0.843 . . . . 0.0 109.115 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 31.8 mm -67.79 -44.01 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.057 -1.027 . . . . 0.0 109.921 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.94 -43.49 87.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.075 -1.016 . . . . 0.0 111.227 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 53' ' ' GLY . 44.5 p -93.52 -14.97 25.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.864 -1.147 . . . . 0.0 109.912 -178.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.18 0.43 7.56 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -73.8 -174.44 29.72 Favored Glycine 0 N--CA 1.494 2.559 0 O-C-N 121.417 -1.049 . . . . 0.0 110.876 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.444 ' HG ' ' H ' ' A' ' 56' ' ' GLY . 7.3 t -95.69 124.46 39.72 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.556 -0.967 . . . . 0.0 109.538 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.08 -13.69 61.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.277 -0.889 . . . . 0.0 110.098 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.444 ' H ' ' HG ' ' A' ' 54' ' ' CYS . . . -75.12 -5.42 76.14 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -140.46 7.63 2.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.249 -1.147 . . . . 0.0 108.814 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.1 ttm -77.96 136.15 37.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.034 -1.042 . . . . 0.0 109.938 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -116.77 145.78 43.27 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.643 -0.661 . . . . 0.0 109.358 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.0 t -117.76 133.23 65.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -133.03 139.15 47.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.235 -0.915 . . . . 0.0 109.619 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.3 t -95.96 131.46 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.861 . . . . 0.0 109.212 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -129.46 141.16 51.08 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.483 -0.76 . . . . 0.0 109.297 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -130.32 82.06 2.04 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.65 -98.38 2.38 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -130.67 30.68 4.63 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.433 -1.039 . . . . 0.0 109.134 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.9 t -144.39 153.79 42.32 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.091 -1.005 . . . . 0.0 109.917 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.6 m -93.06 134.34 35.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.372 -0.83 . . . . 0.0 109.632 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 t -91.2 -51.67 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 109.364 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.2 t -172.75 164.66 5.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.194 -0.941 . . . . 0.0 109.64 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.4 m -113.11 128.45 56.49 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.545 -0.722 . . . . 0.0 109.056 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.4 mtt -71.7 81.48 0.85 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 109.929 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 39.4 p-10 -95.48 -18.64 20.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.158 -0.963 . . . . 0.0 109.518 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 52.2 t-20 -90.28 111.09 22.16 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.062 -1.024 . . . . 0.0 110.174 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.95 -26.79 62.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.279 -0.888 . . . . 0.0 109.85 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 93.1 m-20 -81.14 -2.26 47.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.163 -0.96 . . . . 0.0 109.535 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.78 155.47 23.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.134 -0.979 . . . . 0.0 109.977 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -89.81 163.7 14.94 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.381 -0.824 . . . . 0.0 110.232 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.7 tp -62.98 -42.48 99.85 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.489 -0.757 . . . . 0.0 109.644 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.21 -1.61 50.58 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -62.63 -44.66 95.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.235 -1.156 . . . . 0.0 109.44 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -105.95 -32.11 8.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.327 -0.858 . . . . 0.0 109.636 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.36 80.35 1.69 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.367 -0.833 . . . . 0.0 109.145 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -95.08 5.81 50.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.242 -0.911 . . . . 0.0 108.897 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 90.6 p -137.03 153.36 50.65 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.349 -0.845 . . . . 0.0 110.069 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.39 168.84 13.45 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.389 -0.819 . . . . 0.0 110.376 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.32 -2.04 84.79 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.46 154.78 36.82 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.353 -1.087 . . . . 0.0 109.556 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -120.22 126.01 49.57 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -102.31 133.86 46.54 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.336 -0.852 . . . . 0.0 109.022 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -115.62 123.47 48.48 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.485 -0.76 . . . . 0.0 109.119 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.84 131.81 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.385 -0.822 . . . . 0.0 108.9 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -118.92 124.55 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.443 -0.786 . . . . 0.0 109.02 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.436 ' O ' ' OG ' ' A' ' 95' ' ' SER . 97.6 m-20 -118.65 140.72 49.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.58 -0.7 . . . . 0.0 109.69 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 94' ' ' ASP . 4.8 p . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.772 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' C ' ' H ' ' A' ' 3' ' ' HIS . 66.0 mtt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.523 0.678 . . . . 0.0 110.038 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' HIS . . . -78.79 39.53 2.0 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.42 ' H ' ' C ' ' A' ' 1' ' ' MET . 83.7 t60 58.66 125.54 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.695 -0.885 . . . . 0.0 110.709 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -70.91 140.52 51.03 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 121.623 0.725 . . . . 0.0 110.445 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -160.17 89.85 0.87 Allowed 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -105.02 139.31 39.9 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.49 -0.757 . . . . 0.0 109.878 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -74.42 101.64 4.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.503 -0.748 . . . . 0.0 109.889 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 73.0 m80 41.7 80.91 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.795 0.807 . . . . 0.0 109.958 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.533 ' C ' ' H ' ' A' ' 11' ' ' GLY . 68.2 m -61.95 -41.9 98.5 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.572 0.701 . . . . 0.0 109.31 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 10' ' ' HIS . 59.6 t-80 51.42 9.35 0.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.422 -0.799 . . . . 0.0 109.284 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 9' ' ' SER . . . -100.29 -59.43 0.84 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -75.35 144.73 42.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.166 -1.197 . . . . 0.0 110.953 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.546 ' OG ' ' N ' ' A' ' 14' ' ' ASP . 64.6 p -166.3 -118.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.546 ' N ' ' OG ' ' A' ' 13' ' ' SER . 99.6 m-20 57.72 51.2 9.64 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.683 -0.635 . . . . 0.0 109.653 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.601 ' CD1' ' NZ ' ' A' ' 33' ' ' LYS . 49.1 m-85 -127.25 140.49 52.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.645 -0.659 . . . . 0.0 109.883 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.6 pt -128.58 153.88 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -115.83 119.74 36.98 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.642 0.734 . . . . 0.0 109.219 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.17 164.72 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.486 -0.759 . . . . 0.0 109.423 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -93.41 144.19 25.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.425 -0.797 . . . . 0.0 109.516 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.8 t -123.2 133.22 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 CA-C-O 121.481 0.658 . . . . 0.0 109.347 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.0 p -139.12 163.99 30.97 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -147.99 163.64 36.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 0.0 109.82 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -68.52 147.18 52.36 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.542 -0.723 . . . . 0.0 110.319 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 25' ' ' ASN . 59.8 m80 58.93 172.8 0.07 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.438 0.637 . . . . 0.0 110.338 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' HIS . 98.9 m-20 57.95 147.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.635 0.731 . . . . 0.0 110.636 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -94.95 2.8 55.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.331 -0.855 . . . . 0.0 108.827 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 107.18 0.6 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 109.662 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -130.47 134.17 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.511 -0.743 . . . . 0.0 109.739 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.63 153.48 22.83 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.609 -0.682 . . . . 0.0 109.182 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -128.38 151.03 49.82 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.76 0.791 . . . . 0.0 110.619 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 41.29 60.9 1.94 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.294 0.568 . . . . 0.0 110.78 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -78.1 127.72 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 121.037 -1.039 . . . . 0.0 109.625 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.601 ' NZ ' ' CD1' ' A' ' 15' ' ' PHE . 65.2 tttm -88.78 116.39 27.01 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 110.08 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.9 mt -134.94 135.57 41.6 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.54 -0.725 . . . . 0.0 109.351 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 143.77 52.77 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.726 0.774 . . . . 0.0 109.987 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.63 -30.25 70.48 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.666 -0.646 . . . . 0.0 109.799 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.96 -0.67 9.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.593 -0.692 . . . . 0.0 109.962 -178.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.9 mt -75.74 136.89 40.31 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.036 -1.04 . . . . 0.0 109.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.7 p -86.44 167.89 14.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.461 -0.774 . . . . 0.0 110.279 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.24 -43.86 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.647 -0.658 . . . . 0.0 109.913 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.57 95.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.08 -1.012 . . . . 0.0 109.362 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -64.71 -37.91 89.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 0.0 109.212 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -63.16 -40.17 96.76 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.324 -0.86 . . . . 0.0 109.423 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.17 -38.81 90.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.873 . . . . 0.0 109.642 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -60.05 -45.51 92.63 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.143 -0.973 . . . . 0.0 109.066 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.25 -43.2 98.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.866 . . . . 0.0 109.024 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.12 -38.84 91.93 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.476 -0.765 . . . . 0.0 109.382 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 52' ' ' GLY . 83.6 tt0 -53.43 -47.68 69.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.929 . . . . 0.0 109.429 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.43 -43.66 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.135 -0.978 . . . . 0.0 109.068 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.6 -42.11 98.27 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.499 -0.75 . . . . 0.0 110.292 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.553 ' C ' ' H ' ' A' ' 53' ' ' GLY . 59.0 p -92.18 -16.72 25.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 109.285 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.89 -8.77 0.81 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.553 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -75.4 -173.1 32.74 Favored Glycine 0 N--CA 1.492 2.413 0 O-C-N 121.278 -1.131 . . . . 0.0 110.915 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.5 t -87.64 126.07 34.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.492 -1.005 . . . . 0.0 109.957 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.69 85.19 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.535 0.683 . . . . 0.0 109.842 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.55 97.38 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.1 m -91.6 -2.18 57.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.019 -1.283 . . . . 0.0 109.215 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttm -81.98 142.47 32.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.352 -0.843 . . . . 0.0 109.752 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -128.08 143.35 51.06 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.594 -0.691 . . . . 0.0 109.15 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.0 t -113.09 133.55 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 109.474 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -133.45 151.19 51.76 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.617 -0.677 . . . . 0.0 109.197 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.3 t -102.85 127.63 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.605 -0.685 . . . . 0.0 109.34 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -134.97 147.28 49.7 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.563 0.697 . . . . 0.0 109.65 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -133.0 80.41 1.89 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.08 -93.21 1.87 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 59.0 t0 -136.28 18.91 3.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.382 -1.069 . . . . 0.0 108.8 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.3 m -124.23 132.14 53.57 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 121.702 0.763 . . . . 0.0 110.266 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.1 t -80.56 134.04 35.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.602 -0.686 . . . . 0.0 110.365 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.8 t -98.2 -61.97 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.427 -0.796 . . . . 0.0 109.257 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.0 p -168.33 163.78 12.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.733 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.1 m -111.72 127.15 55.69 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.529 -0.732 . . . . 0.0 109.752 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.9 mtt -64.08 82.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.608 0.718 . . . . 0.0 110.385 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.9 t0 -96.98 -24.78 15.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.426 -0.796 . . . . 0.0 109.114 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -85.14 105.5 15.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.198 -0.939 . . . . 0.0 110.48 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.02 -32.91 73.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.582 -0.699 . . . . 0.0 109.22 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -74.26 -2.58 25.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.555 -0.716 . . . . 0.0 109.542 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.46 153.15 22.09 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.23 -0.919 . . . . 0.0 110.719 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -85.97 161.35 19.04 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.634 0.73 . . . . 0.0 110.664 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.6 tp -64.31 -42.43 96.34 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.534 -0.729 . . . . 0.0 109.535 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.93 -4.47 58.89 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -63.01 -45.77 90.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.474 -1.015 . . . . 0.0 109.533 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -104.87 -28.66 10.99 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.42 -0.8 . . . . 0.0 109.321 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.32 68.46 0.81 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.399 -0.813 . . . . 0.0 109.132 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -91.37 5.2 50.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.404 -0.81 . . . . 0.0 109.142 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 71.5 m -136.19 147.24 47.57 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.338 -0.851 . . . . 0.0 109.784 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -85.93 170.15 12.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.576 -0.702 . . . . 0.0 110.374 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.29 -3.28 86.73 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.32 159.56 30.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.21 -1.171 . . . . 0.0 110.146 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -122.37 127.41 49.71 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 121.588 0.708 . . . . 0.0 109.229 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -104.84 136.95 43.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.628 -0.67 . . . . 0.0 109.194 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -118.91 131.76 56.06 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.669 -0.645 . . . . 0.0 109.483 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.7 t -106.14 130.66 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.7 t -111.67 113.22 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -127.86 107.31 9.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.658 -0.651 . . . . 0.0 109.543 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.115 -0.945 . . . . 0.0 108.871 179.656 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.26 0.553 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 4' ' ' HIS . . . 83.59 1.07 90.14 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.7 m80 40.94 -91.31 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.693 -0.887 . . . . 0.0 110.387 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 2' ' ' GLY . 80.5 m80 -137.92 153.87 49.47 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.399 -0.813 . . . . 0.0 109.576 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -73.33 145.56 45.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.511 -0.743 . . . . 0.0 110.077 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -81.72 -10.7 59.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.413 -0.804 . . . . 0.0 109.138 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -73.47 132.02 42.45 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.405 -0.809 . . . . 0.0 109.805 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.452 ' O ' ' CB ' ' A' ' 9' ' ' SER . 73.4 m80 -77.44 -175.46 3.77 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.378 -0.826 . . . . 0.0 110.518 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 8' ' ' HIS . 2.0 p 74.31 -53.57 0.68 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.597 -0.689 . . . . 0.0 109.56 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.407 ' N ' ' OG ' ' A' ' 9' ' ' SER . 58.5 m170 -61.54 -45.6 93.49 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.128 -0.982 . . . . 0.0 109.615 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.97 142.82 20.14 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -84.18 137.29 33.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.401 -1.058 . . . . 0.0 109.614 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.5 t -112.46 124.06 51.66 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.473 -0.767 . . . . 0.0 108.967 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -127.19 38.39 4.09 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -124.44 150.15 45.99 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 pt -126.27 150.73 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.581 -0.699 . . . . 0.0 109.464 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -95.75 114.23 25.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.449 -0.782 . . . . 0.0 109.159 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.36 163.27 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.466 -0.771 . . . . 0.0 109.613 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -106.16 144.89 32.21 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.86 133.33 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.481 -0.762 . . . . 0.0 108.978 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.4 p -142.77 163.09 33.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.292 -0.88 . . . . 0.0 109.492 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -132.95 155.82 48.41 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.329 -0.857 . . . . 0.0 109.634 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.533 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 40.4 m -84.61 -75.02 0.36 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.477 -0.765 . . . . 0.0 109.601 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -63.46 -44.31 94.86 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.9 . . . . 0.0 109.72 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -79.07 155.65 28.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.965 . . . . 0.0 109.847 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -108.27 19.01 20.42 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.89 112.8 17.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.126 -0.984 . . . . 0.0 108.986 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.1 t -126.12 131.56 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.542 -0.724 . . . . 0.0 109.238 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.25 130.27 56.86 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' GLU . 96.0 m-85 -99.85 145.12 28.11 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.396 -0.815 . . . . 0.0 110.485 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' PHE . 6.6 mt-10 38.69 61.36 1.21 Allowed 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.264 0.554 . . . . 0.0 109.99 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.7 p -94.25 129.99 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.092 -1.005 . . . . 0.0 109.64 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -83.61 130.44 34.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 0.0 110.037 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.2 mt -135.79 131.74 35.84 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.05 132.97 48.96 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.277 -0.89 . . . . 0.0 109.607 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -75.55 -14.98 60.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.566 -0.709 . . . . 0.0 109.462 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.14 -2.8 49.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.42 -0.8 . . . . 0.0 109.833 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.3 mt -78.93 145.79 33.85 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 110.17 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 p -84.45 169.11 14.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.403 -0.81 . . . . 0.0 110.107 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.462 ' CG1' ' NZ ' ' A' ' 44' ' ' LYS . 48.1 t -61.67 -44.92 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.464 -0.773 . . . . 0.0 109.349 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.71 80.67 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.273 -0.892 . . . . 0.0 109.146 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.07 -38.59 91.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.23 -0.919 . . . . 0.0 109.18 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.39 -42.08 99.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.329 -0.857 . . . . 0.0 109.547 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' NZ ' ' CG1' ' A' ' 40' ' ' VAL . 60.2 mttp -61.17 -39.49 90.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.132 -0.98 . . . . 0.0 109.633 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.0 m -60.01 -47.03 87.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.115 -0.991 . . . . 0.0 109.036 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -63.25 -43.13 98.9 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.266 -0.896 . . . . 0.0 109.173 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.41 -38.6 91.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.326 -0.859 . . . . 0.0 109.128 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 52' ' ' GLY . 47.1 tp10 -53.57 -45.67 70.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.506 -0.746 . . . . 0.0 109.541 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.416 HG22 HD12 ' A' ' 49' ' ' ILE . 30.9 mm -64.82 -47.14 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.024 -1.048 . . . . 0.0 109.91 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.71 -42.22 86.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.275 -0.891 . . . . 0.0 110.98 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.9 p -87.31 -33.44 19.21 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.886 -1.134 . . . . 0.0 109.867 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 71.92 6.55 64.09 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.465 ' O ' ' OE2' ' A' ' 48' ' ' GLU . . . -77.83 -128.18 0.42 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.521 ' HG ' ' H ' ' A' ' 57' ' ' THR . 8.4 t -135.81 123.82 22.83 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.485 -1.009 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.07 -39.48 82.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 110.172 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.96 -43.94 70.53 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.163 -1.017 . . . . 0.0 110.905 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.521 ' H ' ' HG ' ' A' ' 54' ' ' CYS . 2.3 m -86.09 -1.79 57.72 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.818 -1.401 . . . . 0.0 110.145 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.458 ' SD ' ' O ' ' A' ' 54' ' ' CYS . 24.1 mtp -86.2 146.64 26.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.212 -0.93 . . . . 0.0 110.357 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -132.19 117.81 18.73 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.7 t -101.74 133.58 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.45 140.99 49.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.584 -0.698 . . . . 0.0 109.233 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -91.18 132.09 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.41 -0.806 . . . . 0.0 109.389 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.65 145.81 51.05 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.905 0.859 . . . . 0.0 109.977 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -143.47 90.9 2.2 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.54 -129.06 13.6 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.2 p30 -97.03 10.59 38.84 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.237 -1.154 . . . . 0.0 110.201 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.1 m -125.35 130.84 52.74 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.354 -0.841 . . . . 0.0 109.639 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 p -86.67 123.86 32.31 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.332 -0.855 . . . . 0.0 109.557 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' SER . 69.4 t -64.46 -46.3 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.188 -0.945 . . . . 0.0 109.658 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 163.9 171.85 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.487 -0.758 . . . . 0.0 109.068 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.6 m -108.93 135.75 49.61 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.462 -0.774 . . . . 0.0 109.207 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.3 mtt -75.72 124.1 26.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.35 -0.844 . . . . 0.0 109.53 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -140.12 -27.95 0.74 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.544 -0.722 . . . . 0.0 109.976 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -87.91 110.34 20.47 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.091 -1.006 . . . . 0.0 110.317 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.435 ' C ' ' H ' ' A' ' 77' ' ' ALA . 54.4 t-20 -64.98 -36.17 83.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.457 -0.777 . . . . 0.0 109.443 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.92 -1.01 1.75 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.254 -0.904 . . . . 0.0 109.636 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 75' ' ' ASN . . . -92.97 148.73 21.76 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.225 -0.922 . . . . 0.0 109.589 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -89.13 161.36 16.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.314 -0.866 . . . . 0.0 110.188 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.35 -41.86 98.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.445 -0.785 . . . . 0.0 109.524 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.12 -4.62 56.45 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -62.11 -45.77 92.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.247 -1.149 . . . . 0.0 109.124 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -105.09 -28.59 10.93 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.47 -0.769 . . . . 0.0 109.591 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.63 72.9 0.93 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.454 -0.779 . . . . 0.0 109.455 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.5 p30 -101.84 12.13 37.52 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.4 -0.812 . . . . 0.0 109.386 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.1 t -138.12 147.45 43.97 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.453 -0.779 . . . . 0.0 109.514 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -82.58 166.54 19.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.838 . . . . 0.0 110.132 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.88 -1.98 83.81 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.5 mt -76.93 155.58 32.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.309 -1.112 . . . . 0.0 109.489 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -123.07 134.18 54.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.564 -0.71 . . . . 0.0 109.449 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.4 mt -105.28 127.62 53.04 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.533 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 79.3 t60 -114.06 117.82 32.35 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.618 -0.676 . . . . 0.0 109.64 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -87.19 124.42 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.8 t -111.13 109.95 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.587 -0.696 . . . . 0.0 109.188 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -99.49 112.58 24.76 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.539 -0.726 . . . . 0.0 109.489 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.488 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.647 ' N ' ' HD1' ' A' ' 3' ' ' HIS . 37.3 ttm . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.92 4.66 89.92 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.647 ' HD1' ' N ' ' A' ' 1' ' ' MET . 26.3 p-80 -88.84 -11.48 44.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.443 -1.033 . . . . 0.0 109.411 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.426 ' CE1' ' CE1' ' A' ' 3' ' ' HIS . 74.3 m80 -67.12 137.74 56.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.354 -0.841 . . . . 0.0 109.779 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -88.6 142.81 27.39 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.411 -0.806 . . . . 0.0 109.771 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -119.6 125.96 50.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.639 -0.663 . . . . 0.0 109.501 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -81.04 137.16 36.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.354 -0.842 . . . . 0.0 109.854 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -87.26 68.14 9.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.39 -0.819 . . . . 0.0 109.389 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.2 p -86.46 -5.38 59.17 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.445 -0.785 . . . . 0.0 109.442 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -73.04 151.32 41.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.344 -0.847 . . . . 0.0 109.96 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.16 -98.2 2.35 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -73.79 148.2 42.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.362 -1.081 . . . . 0.0 110.482 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 m 53.01 102.59 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.677 -0.639 . . . . 0.0 109.945 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -87.57 88.56 7.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.473 -0.767 . . . . 0.0 109.752 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -141.08 146.88 37.7 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.439 -0.788 . . . . 0.0 109.485 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.0 pt -138.04 160.73 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.469 -0.769 . . . . 0.0 109.485 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -109.58 122.23 46.97 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -136.87 161.91 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.443 -0.785 . . . . 0.0 109.289 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -102.7 144.77 30.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.685 . . . . 0.0 109.433 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.9 t -121.23 131.42 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.8 t -135.47 149.42 49.55 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.0 p30 -133.85 151.88 51.68 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.279 -0.888 . . . . 0.0 109.565 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 25' ' ' ASN . 16.8 p -77.22 168.85 19.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.629 -0.669 . . . . 0.0 110.116 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.9 m80 57.91 -70.79 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 121.205 0.526 . . . . 0.0 110.587 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 23' ' ' SER . 99.8 m-20 -62.04 143.44 56.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.276 -0.89 . . . . 0.0 110.47 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -94.11 3.81 54.77 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.483 -0.761 . . . . 0.0 109.05 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.32 116.3 12.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -0.779 . . . . 0.0 109.768 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.24 133.55 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.47 137.69 44.01 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -114.0 147.11 39.18 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.493 -0.755 . . . . 0.0 110.816 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 43.7 68.56 0.51 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.719 -0.613 . . . . 0.0 110.778 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.91 123.41 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -83.79 118.18 23.76 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.155 -0.965 . . . . 0.0 109.83 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.2 mt -135.23 134.31 39.91 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.531 -0.731 . . . . 0.0 109.222 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 141.35 53.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.42 -0.8 . . . . 0.0 109.653 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -70.8 -14.7 62.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.47 -0.769 . . . . 0.0 109.929 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -80.87 -0.36 38.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.487 -0.758 . . . . 0.0 109.944 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.42 143.73 38.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.173 -0.954 . . . . 0.0 109.997 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.6 p -86.15 165.47 16.54 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.615 0.722 . . . . 0.0 110.161 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.86 -43.78 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.679 -0.638 . . . . 0.0 109.35 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.63 89.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.469 -0.77 . . . . 0.0 109.506 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -64.11 -37.21 86.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.321 -0.862 . . . . 0.0 109.093 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.27 -41.06 98.15 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.48 -37.65 81.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.407 -0.808 . . . . 0.0 109.261 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.5 m -59.62 -47.71 84.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.341 -0.849 . . . . 0.0 109.284 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.88 -43.41 98.87 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.426 -0.796 . . . . 0.0 109.065 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.18 -39.6 94.34 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.1 tt0 -50.79 -49.58 58.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.392 -0.817 . . . . 0.0 109.011 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.39 -43.31 94.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.362 -0.836 . . . . 0.0 109.845 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -45.26 93.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.379 -0.826 . . . . 0.0 110.253 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.546 ' C ' ' H ' ' A' ' 53' ' ' GLY . 34.2 p -93.78 -14.33 26.34 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.84 -1.162 . . . . 0.0 109.648 -179.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.62 -6.37 1.34 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.546 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -72.48 -178.32 32.61 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.6 t -86.71 126.17 34.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.556 -0.967 . . . . 0.0 110.008 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.39 -35.68 81.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.534 -0.729 . . . . 0.0 109.989 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.16 -35.23 91.22 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.3 p -97.76 1.05 47.99 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.201 -1.176 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.0 ttm -81.71 141.16 33.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.81 . . . . 0.0 109.909 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -125.01 144.08 50.57 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.0 t -115.39 131.41 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -131.98 130.01 40.91 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.23 133.3 30.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 109.514 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -126.66 137.02 53.23 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.526 0.679 . . . . 0.0 109.331 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -131.35 89.6 2.74 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.64 -108.41 3.6 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -121.69 -4.54 9.21 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.67 -0.9 . . . . 0.0 109.981 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.3 m -121.69 140.2 52.6 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.527 -0.733 . . . . 0.0 110.564 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -75.02 147.06 41.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.74 -0.6 . . . . 0.0 109.442 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 m -106.87 -45.3 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.531 -0.731 . . . . 0.0 109.729 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.0 p -162.79 162.54 26.65 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.138 -0.976 . . . . 0.0 109.824 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ASP . 90.3 m -117.2 130.4 56.56 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 mtt -62.7 69.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.44 -0.787 . . . . 0.0 110.403 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' THR . 99.7 m-20 -64.66 -39.4 93.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.495 -0.753 . . . . 0.0 109.633 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -86.08 112.35 21.19 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.426 -0.796 . . . . 0.0 109.888 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 55.4 p30 -74.73 -14.15 60.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.422 -0.799 . . . . 0.0 109.689 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 94.7 m-20 -89.31 -1.97 58.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.354 -0.841 . . . . 0.0 109.534 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.63 156.16 32.91 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.327 -0.858 . . . . 0.0 110.033 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -85.64 162.14 18.95 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.56 -0.712 . . . . 0.0 110.287 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.1 -42.36 99.57 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.647 -0.658 . . . . 0.0 109.948 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.24 -5.03 75.44 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -62.86 -44.33 96.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -1.182 . . . . 0.0 109.205 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -101.85 -45.54 5.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.403 -0.811 . . . . 0.0 109.792 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.89 86.44 5.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.24 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER -102.15 8.58 40.63 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.5 t -135.98 146.92 47.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.465 -0.772 . . . . 0.0 109.353 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -81.14 166.81 20.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.495 -0.753 . . . . 0.0 110.611 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.56 -8.13 80.28 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.0 mt -78.06 158.59 29.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.461 -1.023 . . . . 0.0 109.679 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -130.66 143.89 51.05 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -107.72 126.12 52.22 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.549 -0.719 . . . . 0.0 109.285 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -98.08 128.09 44.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.468 -0.77 . . . . 0.0 109.366 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.4 131.06 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.487 -0.758 . . . . 0.0 108.991 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.8 t -115.16 130.08 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.606 -0.684 . . . . 0.0 109.22 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -126.15 108.05 10.96 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 121.392 0.615 . . . . 0.0 109.553 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.169 179.687 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.251 0.548 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.22 7.62 1.47 Allowed Glycine 0 N--CA 1.495 2.579 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -79.84 128.98 34.09 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.455 -1.026 . . . . 0.0 110.299 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -91.71 6.02 47.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.447 -0.783 . . . . 0.0 109.031 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 72.4 m80 41.56 -134.42 0.31 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.632 -0.668 . . . . 0.0 110.476 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -152.38 166.74 30.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.333 -0.854 . . . . 0.0 109.649 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 8' ' ' HIS . 82.6 t60 -53.78 149.04 9.08 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.885 . . . . 0.0 110.437 -178.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.464 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 43.5 m80 -67.51 136.61 54.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.581 -0.7 . . . . 0.0 110.051 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 11' ' ' GLY . 68.3 m -147.08 98.42 3.03 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.268 -0.895 . . . . 0.0 109.014 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.421 ' CG ' ' O ' ' A' ' 10' ' ' HIS . 82.7 t60 51.87 9.46 0.08 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.26 -0.9 . . . . 0.0 109.394 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 9' ' ' SER . . . -83.06 125.11 6.82 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -85.15 133.75 34.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -1.078 . . . . 0.0 109.99 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 m -78.51 154.31 30.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.902 . . . . 0.0 110.208 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -75.12 -3.72 34.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.452 -0.78 . . . . 0.0 109.86 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -112.65 144.21 42.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.496 -0.753 . . . . 0.0 109.363 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.404 HG23 HD13 ' A' ' 16' ' ' ILE . 40.3 pt -125.57 155.05 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.526 -0.734 . . . . 0.0 109.585 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -105.4 117.52 34.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.505 -0.747 . . . . 0.0 109.51 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -136.48 163.61 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.44 -0.787 . . . . 0.0 109.096 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -101.39 144.61 29.99 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.526 -0.734 . . . . 0.0 109.287 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.48 135.5 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 121.34 -0.85 . . . . 0.0 109.081 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.8 t -134.55 175.28 9.68 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 27' ' ' ALA . 2.4 p30 -146.64 162.06 39.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.191 -0.943 . . . . 0.0 109.568 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -88.74 -76.72 0.39 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.56 -0.713 . . . . 0.0 110.51 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -60.64 -47.21 87.23 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.336 -0.852 . . . . 0.0 110.362 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 60.2 t-20 -75.41 144.61 42.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 0.0 110.433 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 52.0 t0 -97.3 1.95 50.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.357 -0.839 . . . . 0.0 109.266 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.507 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . -69.79 130.74 43.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.368 -0.833 . . . . 0.0 109.84 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.22 134.61 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.388 -0.82 . . . . 0.0 109.804 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.38 140.26 44.77 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -117.29 146.79 43.09 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.519 -0.738 . . . . 0.0 110.468 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 40.08 67.65 0.46 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.825 -0.547 . . . . 0.0 110.264 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.41 123.87 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.575 -0.703 . . . . 0.0 109.412 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -78.13 131.01 37.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.267 -0.896 . . . . 0.0 110.361 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.5 mt -138.86 125.13 20.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.371 -0.83 . . . . 0.0 108.94 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.35 138.82 58.62 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.379 -0.826 . . . . 0.0 109.593 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -75.94 -15.03 60.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.605 -0.684 . . . . 0.0 109.491 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -80.91 0.31 35.85 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.397 -0.815 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -76.58 144.08 39.86 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.261 -0.899 . . . . 0.0 110.655 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.1 p -88.15 164.71 15.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.541 -0.724 . . . . 0.0 109.952 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.78 -44.55 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.451 -0.78 . . . . 0.0 110.033 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.48 94.44 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.125 -0.984 . . . . 0.0 109.863 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.97 -36.45 83.36 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.328 -0.857 . . . . 0.0 109.164 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.64 -41.57 99.11 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.489 -0.757 . . . . 0.0 109.263 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.18 -40.31 95.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.397 -0.815 . . . . 0.0 109.803 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.8 m -61.04 -46.41 90.8 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.132 -0.98 . . . . 0.0 109.885 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -62.92 -46.75 86.33 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.183 -0.948 . . . . 0.0 109.4 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.71 -38.55 91.38 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.422 -0.799 . . . . 0.0 109.195 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' GLY . 38.2 tt0 -51.15 -51.12 56.65 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.343 -0.848 . . . . 0.0 109.648 -179.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.46 -42.67 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.347 -0.845 . . . . 0.0 110.227 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.44 -41.61 98.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.117 -0.99 . . . . 0.0 110.201 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.521 ' C ' ' H ' ' A' ' 53' ' ' GLY . 16.1 p -91.93 -12.6 32.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.984 -1.072 . . . . 0.0 108.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.42 -8.48 1.51 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -71.03 176.4 37.12 Favored Glycine 0 N--CA 1.492 2.378 0 O-C-N 121.345 -1.091 . . . . 0.0 110.553 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.94 126.19 34.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.545 -0.973 . . . . 0.0 109.36 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.91 72.52 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.347 -0.846 . . . . 0.0 110.157 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.37 -35.54 91.56 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.6 p -98.72 -10.71 22.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.281 -1.129 . . . . 0.0 109.652 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.2 ttp -86.9 128.77 35.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.148 -0.97 . . . . 0.0 109.523 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -113.9 150.6 33.43 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.573 -0.704 . . . . 0.0 109.466 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.1 t -115.23 132.89 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -134.27 147.0 50.57 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.7 132.77 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.272 -0.893 . . . . 0.0 109.423 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -127.02 138.62 53.27 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.777 0.799 . . . . 0.0 109.781 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -141.36 101.34 3.98 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.03 -102.4 2.39 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -131.42 -3.6 3.81 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.514 -0.992 . . . . 0.0 109.585 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.0 m -116.41 139.36 50.51 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.571 -0.706 . . . . 0.0 110.59 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.75 120.35 21.8 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.442 -0.786 . . . . 0.0 109.778 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.08 -48.74 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.11 -0.994 . . . . 0.0 109.687 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.6 p -173.77 164.28 4.31 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.414 -0.804 . . . . 0.0 109.412 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.7 m -113.38 126.55 55.48 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.53 -0.732 . . . . 0.0 109.072 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.8 mtt -63.84 83.96 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.238 -0.914 . . . . 0.0 110.056 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 47.4 t0 -95.78 -24.2 16.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.328 -0.857 . . . . 0.0 109.542 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.03 112.73 21.51 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.27 -0.894 . . . . 0.0 110.384 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -74.84 -18.86 60.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.373 -0.829 . . . . 0.0 109.758 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -91.01 -1.83 57.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.322 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.81 152.31 24.69 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.352 -0.842 . . . . 0.0 110.25 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -89.88 159.98 16.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 0.0 109.99 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.03 -42.04 99.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.407 -0.808 . . . . 0.0 110.303 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.23 -21.97 68.71 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 120.25 -0.976 . . . . 0.0 111.223 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.62 -49.08 78.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.871 -1.37 . . . . 0.0 110.4 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -83.08 -44.01 15.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.153 -0.967 . . . . 0.0 110.304 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.24 138.84 36.75 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.302 -0.874 . . . . 0.0 109.95 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -155.28 22.6 0.42 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.6 t -151.56 148.65 28.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.287 -0.883 . . . . 0.0 109.767 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.1 p30 -84.25 162.2 20.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.256 -0.903 . . . . 0.0 110.232 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.86 -4.1 78.28 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.29 153.82 37.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.369 -1.077 . . . . 0.0 109.72 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -124.3 129.84 51.46 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.701 -0.625 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.3 mt -104.2 125.37 50.44 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.45 -0.781 . . . . 0.0 109.016 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -100.98 129.27 46.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.334 -0.853 . . . . 0.0 109.341 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.9 t -103.76 128.11 57.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.473 -0.767 . . . . 0.0 109.097 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.0 t -106.25 109.91 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -97.8 110.46 23.02 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.261 -0.9 . . . . 0.0 110.171 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 117.849 -1.072 . . . . 0.0 108.709 179.689 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.2 -71.24 0.18 Allowed Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -143.9 162.91 34.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.262 -1.14 . . . . 0.0 110.07 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -72.59 139.74 47.63 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.6 -0.687 . . . . 0.0 110.381 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.49 19.99 5.7 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -66.77 -40.59 88.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.449 -0.782 . . . . 0.0 109.271 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 44.7 80.67 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.621 0.724 . . . . 0.0 109.9 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.3 m80 48.34 -172.62 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.645 -0.659 . . . . 0.0 110.201 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.1 t -150.62 50.34 0.87 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -0.83 . . . . 0.0 109.036 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -144.06 138.2 28.13 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.318 -0.864 . . . . 0.0 109.508 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.01 138.66 3.85 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -78.27 147.04 34.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.455 -1.027 . . . . 0.0 110.191 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 m -67.94 147.62 52.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.468 -0.77 . . . . 0.0 110.187 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -149.05 102.41 3.25 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -126.78 140.89 52.03 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.562 ' CG1' ' HZ1' ' A' ' 36' ' ' LYS . 41.9 pt -132.25 164.46 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.617 -0.677 . . . . 0.0 109.872 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 52.8 mtmt -101.33 123.92 46.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.551 -0.718 . . . . 0.0 109.787 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -138.89 161.91 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.635 -0.666 . . . . 0.0 109.269 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -101.73 140.65 35.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.565 -0.709 . . . . 0.0 109.114 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.0 t -126.31 132.52 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-O 121.42 0.628 . . . . 0.0 109.372 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 m -130.68 154.74 47.61 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -136.53 140.85 43.28 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.812 0.815 . . . . 0.0 109.84 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.62 ' HG ' ' CD2' ' A' ' 24' ' ' HIS . 29.2 t -72.35 161.73 30.44 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.355 0.598 . . . . 0.0 110.559 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.62 ' CD2' ' HG ' ' A' ' 23' ' ' SER . 36.2 m-70 65.64 -65.37 0.17 Allowed 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.15 0.5 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 23' ' ' SER . 63.7 t-20 -66.2 140.29 58.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.278 -0.889 . . . . 0.0 110.37 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 96.1 m-20 -89.5 -3.05 58.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.478 -0.764 . . . . 0.0 109.14 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.86 130.11 40.25 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.254 -0.904 . . . . 0.0 109.227 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.3 t -134.85 134.99 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.434 -0.791 . . . . 0.0 109.524 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.57 146.41 29.67 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.644 -0.66 . . . . 0.0 109.232 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -130.36 150.17 51.71 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.653 0.74 . . . . 0.0 110.42 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 43.28 49.33 5.84 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.358 0.599 . . . . 0.0 110.17 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.1 p -85.66 122.17 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.278 -0.889 . . . . 0.0 109.271 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -76.71 127.22 32.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.262 -0.899 . . . . 0.0 109.994 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -134.72 133.05 39.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.577 -0.702 . . . . 0.0 109.431 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.72 139.01 51.02 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.713 0.768 . . . . 0.0 110.04 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HZ1' ' CG1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -76.75 -16.76 59.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.619 -0.675 . . . . 0.0 109.983 -179.799 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -81.77 -1.62 47.84 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.339 -0.851 . . . . 0.0 109.447 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -77.72 144.22 37.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.145 -0.972 . . . . 0.0 110.392 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 p -85.13 170.16 13.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.51 -0.744 . . . . 0.0 110.082 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.06 -43.45 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.94 81.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.376 -0.828 . . . . 0.0 109.522 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -66.24 -39.05 89.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.314 -0.866 . . . . 0.0 109.122 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.7 tp -62.55 -42.4 99.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.467 -0.771 . . . . 0.0 109.429 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.68 -37.71 85.1 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.478 -0.764 . . . . 0.0 109.417 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.0 m -61.04 -46.78 89.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.342 -0.849 . . . . 0.0 109.369 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.27 -43.43 94.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 108.982 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 99.9 mt -64.93 -38.12 89.9 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.563 -0.711 . . . . 0.0 109.099 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 52' ' ' GLY . 42.0 tt0 -54.14 -47.94 71.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.54 -0.725 . . . . 0.0 109.38 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.87 -43.24 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.319 -0.863 . . . . 0.0 109.491 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.7 mt -63.31 -41.4 98.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.498 -0.751 . . . . 0.0 110.36 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.553 ' C ' ' H ' ' A' ' 53' ' ' GLY . 12.1 p -93.81 -14.15 26.5 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.105 -0.997 . . . . 0.0 109.205 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 64.41 -5.21 1.11 Allowed Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.553 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -76.77 -174.91 40.45 Favored Glycine 0 N--CA 1.489 2.192 0 O-C-N 121.324 -1.104 . . . . 0.0 110.722 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -89.61 127.2 35.87 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.557 -0.967 . . . . 0.0 109.374 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.39 -34.37 77.58 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.608 -0.683 . . . . 0.0 109.868 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.97 -36.27 93.06 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.3 p -96.9 -10.35 26.61 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.973 -1.31 . . . . 0.0 109.505 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttp -86.73 126.94 34.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.195 -0.941 . . . . 0.0 109.934 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -108.58 149.01 29.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.548 -0.72 . . . . 0.0 109.583 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.65 132.32 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -130.77 138.2 49.82 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.5 t -90.51 132.66 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.548 -0.72 . . . . 0.0 109.583 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -124.81 146.55 49.19 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.954 0.883 . . . . 0.0 109.772 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -147.25 99.24 3.12 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.13 -130.77 22.15 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 36.3 p-10 -99.53 10.95 40.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.48 -1.012 . . . . 0.0 109.202 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -127.27 133.81 50.13 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.549 -0.719 . . . . 0.0 110.02 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 m -83.67 128.04 34.23 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.434 -0.791 . . . . 0.0 110.206 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' SER . 93.8 t -66.7 -44.32 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.524 -0.735 . . . . 0.0 109.327 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.5 m 164.2 171.61 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.476 -0.765 . . . . 0.0 109.712 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.7 m -111.93 130.7 55.75 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.459 0.647 . . . . 0.0 109.396 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -66.34 105.74 1.52 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 110.253 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -111.96 -29.56 7.59 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -87.88 107.91 18.91 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.309 -0.869 . . . . 0.0 110.023 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.04 -35.09 77.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.695 -0.628 . . . . 0.0 110.002 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -73.45 -1.01 16.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.285 -0.884 . . . . 0.0 110.018 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.02 157.27 20.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.099 -1.001 . . . . 0.0 110.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -86.09 157.97 19.92 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.677 0.751 . . . . 0.0 110.665 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.75 -41.9 99.42 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.702 -0.624 . . . . 0.0 109.689 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.91 -3.66 30.2 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -63.58 -44.09 95.07 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.207 -1.172 . . . . 0.0 109.219 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.93 -28.13 11.29 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.61 74.51 1.08 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.604 -0.685 . . . . 0.0 109.332 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -103.44 11.07 36.92 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.2 t -135.78 145.81 46.93 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.493 -0.755 . . . . 0.0 109.848 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 17' ' ' LYS . 29.0 t70 -83.27 158.56 22.2 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.53 0.681 . . . . 0.0 110.782 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.71 9.39 71.78 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.9 mt -79.23 155.33 28.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.405 -1.056 . . . . 0.0 110.438 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -120.44 128.64 53.36 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.1 mt -106.21 127.97 53.6 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -105.02 113.46 27.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.619 -0.676 . . . . 0.0 109.327 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.9 t -89.81 129.37 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.374 -0.829 . . . . 0.0 109.23 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.21 102.94 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.65 -0.656 . . . . 0.0 109.506 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.409 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 55.0 t0 -98.95 112.34 24.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.469 -0.769 . . . . 0.0 109.699 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 118.103 -0.951 . . . . 0.0 108.792 179.683 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ptt? . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.98 146.87 42.13 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -67.13 -39.3 86.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.394 -1.062 . . . . 0.0 109.391 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -65.45 -41.46 93.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.871 . . . . 0.0 109.644 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -85.05 128.24 34.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.209 -0.932 . . . . 0.0 109.894 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.458 ' O ' ' ND1' ' A' ' 6' ' ' HIS . 56.6 t-80 -149.17 26.07 0.88 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.368 -0.833 . . . . 0.0 109.095 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 8' ' ' HIS . 86.4 t60 -153.25 95.54 1.95 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.325 -0.859 . . . . 0.0 109.183 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 7' ' ' HIS . 76.6 t60 41.53 92.61 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.57 -0.706 . . . . 0.0 109.793 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -64.06 147.81 51.27 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.31 -0.869 . . . . 0.0 110.539 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 55.13 99.93 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.513 -0.742 . . . . 0.0 109.856 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.4 110.68 3.08 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -64.66 -44.27 90.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.397 -1.061 . . . . 0.0 109.513 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.5 m -95.02 95.37 8.56 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.272 -0.892 . . . . 0.0 109.765 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -107.8 19.13 20.5 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.562 -0.711 . . . . 0.0 109.246 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.513 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -124.58 159.55 30.43 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.831 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.0 pt -125.1 159.84 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.58 -0.7 . . . . 0.0 109.502 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -95.91 117.99 31.67 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.467 -0.77 . . . . 0.0 109.192 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -141.42 163.72 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.374 -0.829 . . . . 0.0 109.732 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -109.08 148.43 30.84 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.6 t -122.36 131.99 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.339 -0.851 . . . . 0.0 108.971 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.7 m -131.34 158.06 41.7 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.682 HD21 HD22 ' A' ' 25' ' ' ASN . 58.3 t-20 -132.86 132.23 41.87 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.479 -0.763 . . . . 0.0 109.535 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 11.4 t -62.07 -42.96 99.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.618 -0.676 . . . . 0.0 109.757 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.532 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 42.2 m80 -74.87 -98.31 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.281 -0.887 . . . . 0.0 110.874 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.682 HD22 HD21 ' A' ' 22' ' ' ASN . 21.1 p30 -55.85 156.71 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 110.22 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 34.5 p-10 -89.47 4.74 48.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.543 -0.723 . . . . 0.0 109.266 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.23 111.43 0.96 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.279 -0.888 . . . . 0.0 109.154 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.7 t -124.94 132.42 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.547 -0.721 . . . . 0.0 109.29 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.92 136.85 41.99 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -113.07 134.83 54.35 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.517 -0.739 . . . . 0.0 110.123 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 54.4 50.9 15.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.664 -0.647 . . . . 0.0 110.741 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 8.5 p -91.82 122.55 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.058 -1.026 . . . . 0.0 108.466 178.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -90.36 137.67 32.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.16 -0.963 . . . . 0.0 110.002 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.2 mt -136.45 143.33 43.82 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.434 -0.791 . . . . 0.0 109.406 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.73 132.46 43.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 0.0 109.597 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' A' ' 38' ' ' LEU . 54.0 mtmt -65.32 -38.53 90.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.4 -0.812 . . . . 0.0 110.22 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -61.33 1.22 0.21 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.473 -0.767 . . . . 0.0 110.269 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 36' ' ' LYS . 98.7 mt -76.88 142.8 40.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.124 -0.985 . . . . 0.0 109.555 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.411 ' OG1' ' OE1' ' A' ' 42' ' ' GLN . 12.4 p -84.88 164.14 18.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.357 -0.84 . . . . 0.0 110.114 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.97 -43.8 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.627 -0.67 . . . . 0.0 109.642 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.53 94.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.0 109.553 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' OE1' ' OG1' ' A' ' 39' ' ' THR . 87.9 mt-30 -65.6 -37.2 85.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.157 -0.965 . . . . 0.0 109.106 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.0 tp -62.24 -42.15 99.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.316 -0.865 . . . . 0.0 109.303 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.19 -39.53 90.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.261 -0.899 . . . . 0.0 109.312 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -60.76 -46.57 89.93 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.404 -0.81 . . . . 0.0 109.592 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.78 -44.04 94.55 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.223 -0.923 . . . . 0.0 109.241 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.97 -39.8 94.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.323 -0.861 . . . . 0.0 108.933 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.6 tt0 -49.72 -49.2 48.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.413 -0.804 . . . . 0.0 109.028 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 49' ' ' ILE . 97.3 mt -64.58 -43.35 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 109.313 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.74 -42.65 99.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.347 -0.846 . . . . 0.0 110.366 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.8 p -93.78 -15.08 25.5 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.911 -1.118 . . . . 0.0 109.908 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.25 7.52 39.0 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.82 -162.06 34.67 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -102.3 128.53 48.81 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.464 -1.021 . . . . 0.0 109.909 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.27 83.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.379 -0.826 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.75 93.16 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.3 p -96.86 6.04 49.41 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.089 -1.242 . . . . 0.0 108.951 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 53.4 ttm -82.18 137.51 34.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.414 -0.804 . . . . 0.0 110.095 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -129.7 143.23 50.72 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.7 t -115.15 132.35 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -130.06 127.23 39.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.588 -0.695 . . . . 0.0 109.402 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.79 131.6 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.452 -0.78 . . . . 0.0 109.751 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -128.96 144.73 51.27 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 121.554 0.692 . . . . 0.0 109.749 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -146.31 80.72 1.57 Allowed 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.57 -133.38 11.7 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -96.54 5.41 50.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.261 -1.14 . . . . 0.0 109.932 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.7 m -125.34 135.71 52.73 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.452 -0.78 . . . . 0.0 110.037 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -79.01 132.52 36.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.454 -0.779 . . . . 0.0 109.809 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -74.14 -54.62 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.141 -0.974 . . . . 0.0 109.634 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 p -173.64 166.55 4.56 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.362 -0.836 . . . . 0.0 109.437 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 85.9 m -114.13 130.36 56.59 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.522 -0.736 . . . . 0.0 109.25 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.2 mtt -70.89 85.88 0.69 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 0.0 109.657 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.6 t0 -94.5 -23.48 17.68 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.475 -0.766 . . . . 0.0 109.628 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 77' ' ' ALA . 25.0 t-20 -91.87 106.74 18.7 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.147 -0.971 . . . . 0.0 110.211 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -69.5 -25.23 63.95 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.339 -0.85 . . . . 0.0 109.308 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -79.07 -2.61 41.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.41 -0.806 . . . . 0.0 109.793 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 74' ' ' ASN . . . -87.01 155.64 20.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.202 -0.937 . . . . 0.0 109.996 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -83.06 160.42 21.94 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.288 -0.882 . . . . 0.0 110.088 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.66 -43.12 99.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.369 -0.832 . . . . 0.0 109.513 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.49 -3.49 58.27 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -61.77 -44.64 96.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -1.172 . . . . 0.0 109.06 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -103.79 -27.09 12.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.427 -0.796 . . . . 0.0 109.265 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.84 96.46 9.35 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.351 -0.843 . . . . 0.0 109.635 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -134.37 68.73 1.47 Allowed 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.4 t -172.69 -129.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 50.2 p-10 -172.74 142.66 1.19 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.247 -0.908 . . . . 0.0 109.507 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.54 15.76 67.77 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.09 155.75 36.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.294 -1.121 . . . . 0.0 109.696 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -115.01 124.57 51.99 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -106.06 129.52 54.15 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.083 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -110.28 121.36 45.09 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 74.9 t -94.95 131.55 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.44 -0.788 . . . . 0.0 108.977 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.6 t -125.12 116.35 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.627 -0.67 . . . . 0.0 109.232 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.532 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 41.4 p-10 -109.55 129.4 55.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.571 -0.706 . . . . 0.0 109.433 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.477 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 50.7 p-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.483 0.658 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -136.55 151.09 49.02 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.4 pt -125.97 149.63 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -99.84 118.77 37.0 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.427 -0.795 . . . . 0.0 109.374 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.4 m -139.2 164.13 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.557 -0.714 . . . . 0.0 109.455 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -101.07 139.76 36.31 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.0 131.38 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.3 t -134.99 148.5 49.99 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -111.99 147.05 36.76 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.533 0.683 . . . . 0.0 109.877 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 t -79.87 -74.91 0.28 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.515 -0.74 . . . . 0.0 110.301 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -77.96 53.62 1.19 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.352 -0.842 . . . . 0.0 110.644 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 61.7 t-20 -172.16 140.22 1.15 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.197 -0.939 . . . . 0.0 109.51 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.513 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 35.5 p-10 -85.8 1.1 51.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.338 -0.851 . . . . 0.0 109.583 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.78 122.18 25.72 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.329 -0.857 . . . . 0.0 109.503 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.424 HG11 ' CZ ' ' A' ' 30' ' ' PHE . 95.5 t -131.65 133.88 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.559 -0.713 . . . . 0.0 109.22 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.52 126.42 52.9 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CZ ' HG11 ' A' ' 28' ' ' VAL . 60.6 m-85 -110.77 146.22 36.73 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.542 -0.724 . . . . 0.0 110.269 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 53.82 57.76 5.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.716 -0.615 . . . . 0.0 109.895 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 32' ' ' VAL . 9.8 p -102.06 123.25 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.31 -0.869 . . . . 0.0 108.897 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -94.14 136.74 34.1 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.246 -0.909 . . . . 0.0 109.546 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.7 mt -134.67 141.41 46.55 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.443 -0.786 . . . . 0.0 109.373 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.458 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -68.77 141.7 55.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.496 -0.752 . . . . 0.0 109.512 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -75.53 -16.26 60.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.422 -0.799 . . . . 0.0 109.854 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -80.81 -0.79 40.35 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.474 -0.766 . . . . 0.0 109.567 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 90.4 mt -76.75 142.29 40.47 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.213 -0.929 . . . . 0.0 109.841 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.1 p -87.48 167.47 13.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.543 -0.723 . . . . 0.0 109.809 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.569 ' CG1' ' NZ ' ' A' ' 44' ' ' LYS . 53.5 t -63.78 -44.44 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.525 -0.734 . . . . 0.0 109.297 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.21 87.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -0.923 . . . . 0.0 108.849 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' OG1' ' A' ' 45' ' ' THR . 95.9 mm-40 -65.15 -39.46 93.01 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.213 -0.93 . . . . 0.0 108.768 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.28 -43.38 98.09 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.156 -0.965 . . . . 0.0 109.223 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.569 ' NZ ' ' CG1' ' A' ' 40' ' ' VAL . 59.0 mttp -62.52 -40.72 97.66 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.289 -0.882 . . . . 0.0 109.717 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 19.2 p -63.24 -44.58 94.81 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.12 -0.987 . . . . 0.0 109.444 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.84 -46.09 86.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.227 -0.921 . . . . 0.0 109.371 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.0 -38.27 85.68 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 0.0 109.524 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 52' ' ' GLY . 83.3 tt0 -52.27 -47.9 65.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.895 . . . . 0.0 109.099 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.63 -43.63 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.0 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.1 -41.76 99.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.532 -0.73 . . . . 0.0 110.242 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.2 p -92.76 -16.95 24.79 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.949 -1.094 . . . . 0.0 109.764 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.66 5.12 36.05 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.04 -170.42 35.95 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 37.3 m -100.31 119.36 38.29 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.491 -1.005 . . . . 0.0 109.535 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.64 67.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.378 -0.826 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.59 -13.67 83.24 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.8 p -123.51 -3.83 8.31 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.441 -1.035 . . . . 0.0 109.103 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.8 ttp -89.57 128.28 36.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.395 -0.816 . . . . 0.0 109.905 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -114.57 148.64 37.73 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.6 t -118.35 132.01 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -130.83 145.5 52.0 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.4 t -93.79 131.0 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.537 -0.727 . . . . 0.0 109.448 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -126.59 137.66 53.36 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.573 0.701 . . . . 0.0 109.896 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -138.36 80.76 1.81 Allowed 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.99 -130.72 10.42 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 34.8 p-10 -98.69 6.87 46.69 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.364 -1.08 . . . . 0.0 110.038 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.9 m -126.31 132.77 51.56 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.487 -0.758 . . . . 0.0 109.84 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -80.43 130.69 35.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.396 -0.815 . . . . 0.0 109.686 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.1 t -72.57 -53.15 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.154 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.2 t -174.28 166.75 4.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.394 -0.816 . . . . 0.0 109.596 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.3 m -115.99 128.44 55.74 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.2 90.01 0.09 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.848 . . . . 0.0 109.997 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 40.1 p-10 -95.79 -29.77 14.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.442 -0.787 . . . . 0.0 109.816 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.518 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 13.7 t-20 -89.67 108.45 19.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.259 -0.9 . . . . 0.0 109.831 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.488 ' C ' ' H ' ' A' ' 77' ' ' ALA . 99.0 m-20 -63.86 -38.57 91.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.471 -0.768 . . . . 0.0 109.797 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.22 18.28 0.05 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.412 -0.805 . . . . 0.0 110.131 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 75' ' ' ASN . . . -99.49 149.65 23.0 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.271 -0.893 . . . . 0.0 109.847 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -86.44 159.52 19.31 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.441 -0.787 . . . . 0.0 110.325 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.82 -42.56 99.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.512 -0.742 . . . . 0.0 109.901 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.59 -6.47 62.63 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -63.01 -45.68 91.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.325 -1.103 . . . . 0.0 109.221 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -104.69 -27.62 11.7 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.519 -0.738 . . . . 0.0 109.514 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.21 63.94 0.91 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.388 -0.82 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -90.7 7.32 40.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.383 -0.823 . . . . 0.0 109.344 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.7 t -137.74 145.04 41.99 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.478 -0.764 . . . . 0.0 109.446 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -84.42 170.88 13.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.504 -0.748 . . . . 0.0 110.299 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.96 3.49 90.45 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -78.22 155.69 30.19 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.382 -1.069 . . . . 0.0 109.765 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -119.07 126.24 51.21 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -106.56 131.21 53.99 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -114.25 123.97 50.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.674 -0.641 . . . . 0.0 109.329 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.7 t -92.2 126.48 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 87.5 t -107.96 110.69 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.66 -0.65 . . . . 0.0 109.371 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -98.37 110.96 23.46 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.497 -0.752 . . . . 0.0 109.721 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.675 179.783 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 N--CA 1.499 2.02 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -110.89 145.38 38.38 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.518 -0.739 . . . . 0.0 109.237 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.3 pt -129.47 143.8 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.582 -0.699 . . . . 0.0 109.26 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -96.26 131.72 42.46 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.6 m -146.54 166.73 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 109.193 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -97.83 143.16 28.73 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.262 -0.898 . . . . 0.0 109.2 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.5 t -124.88 135.45 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.2 p -132.38 156.39 46.74 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.475 -0.765 . . . . 0.0 109.312 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -147.83 137.22 22.37 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.249 -0.907 . . . . 0.0 109.118 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' HIS . 89.0 p -75.94 163.13 27.49 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.453 -0.779 . . . . 0.0 111.013 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 28.4 m170 39.95 49.6 2.29 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 121.435 0.636 . . . . 0.0 110.314 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 27' ' ' ALA . 11.5 m120 -151.93 -29.32 0.17 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.9 t0 60.24 -1.37 0.2 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.661 -0.649 . . . . 0.0 109.499 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.519 ' H ' ' C ' ' A' ' 25' ' ' ASN . . . -87.88 111.1 21.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 0.0 109.283 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.2 t -124.98 130.4 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.67 145.76 29.21 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.44 -0.787 . . . . 0.0 109.176 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' GLU . 76.5 m-85 -109.55 138.66 45.59 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.65 -0.656 . . . . 0.0 110.15 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' PHE . 78.5 mm-40 37.03 77.56 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.213 0.53 . . . . 0.0 111.196 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.3 m -97.94 122.99 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.05 -1.031 . . . . 0.0 109.195 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 18.3 ptmt -81.88 123.55 28.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.052 -1.03 . . . . 0.0 109.825 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -140.41 144.59 36.25 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.213 -0.93 . . . . 0.0 109.391 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.478 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -70.02 131.68 44.73 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 121.793 0.806 . . . . 0.0 109.819 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -75.39 -12.41 60.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.633 -0.667 . . . . 0.0 109.835 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -82.56 0.28 43.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.117 -0.989 . . . . 0.0 109.607 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.478 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 88.9 mt -77.16 151.21 35.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.269 -0.894 . . . . 0.0 110.022 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.9 p -85.29 164.02 18.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.485 -0.759 . . . . 0.0 110.067 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.93 -43.63 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.639 -0.663 . . . . 0.0 109.39 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.64 85.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.382 -0.824 . . . . 0.0 109.493 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.64 -43.13 94.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.066 -1.021 . . . . 0.0 109.463 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.503 HD22 HD13 ' A' ' 79' ' ' LEU . 47.4 tp -63.57 -41.33 98.4 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.383 -0.823 . . . . 0.0 109.786 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -59.85 -41.59 91.76 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.182 -0.949 . . . . 0.0 109.572 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.5 m -60.31 -45.38 93.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.362 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.98 -43.58 98.39 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.075 -1.015 . . . . 0.0 109.207 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.84 -39.47 94.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.276 -0.89 . . . . 0.0 109.082 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.6 tt0 -55.16 -41.6 72.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.358 -0.839 . . . . 0.0 108.911 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.9 -42.93 97.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.371 -0.831 . . . . 0.0 109.422 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.58 -42.08 98.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.414 -0.804 . . . . 0.0 109.951 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -91.26 -15.78 28.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.928 -1.107 . . . . 0.0 109.77 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.29 0.93 8.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.23 -165.68 34.82 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 m -98.97 132.77 44.04 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.472 -1.017 . . . . 0.0 109.86 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.35 83.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.541 -0.724 . . . . 0.0 110.321 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.06 -6.79 87.6 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 119.984 -1.103 . . . . 0.0 110.58 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.2 m -107.65 -30.99 8.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.175 -1.191 . . . . 0.0 110.068 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.17 144.91 26.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 0.0 109.968 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -110.57 153.27 25.37 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.18 132.37 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.575 -0.703 . . . . 0.0 109.124 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -135.59 149.76 49.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.47 -0.769 . . . . 0.0 109.107 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.8 t -106.35 130.42 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.491 -0.755 . . . . 0.0 109.055 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -128.93 149.75 50.66 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.636 0.732 . . . . 0.0 109.699 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -139.64 91.28 2.47 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.17 -130.18 13.46 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -96.13 11.98 32.36 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.437 -1.037 . . . . 0.0 110.371 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.7 m -118.53 133.4 55.9 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.39 -0.819 . . . . 0.0 110.03 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 m -82.17 119.54 24.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.43 -0.794 . . . . 0.0 109.892 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 70' ' ' SER . 77.3 t -71.19 -50.88 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 0.0 110.161 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.1 m 164.7 -179.28 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.342 -0.848 . . . . 0.0 109.258 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.5 m -120.62 130.35 54.12 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -66.17 93.72 0.22 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.218 -0.926 . . . . 0.0 110.153 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -90.71 -23.7 20.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.443 -0.786 . . . . 0.0 109.724 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -93.85 106.0 17.99 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.311 -0.868 . . . . 0.0 109.811 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 53.2 p-10 -72.64 -15.61 61.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.264 -0.898 . . . . 0.0 109.297 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 95.5 m-20 -90.65 -3.51 57.47 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.362 -0.836 . . . . 0.0 109.202 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.65 155.21 31.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.507 -0.746 . . . . 0.0 110.098 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -83.07 160.64 21.88 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.437 -0.79 . . . . 0.0 110.306 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.503 HD13 HD22 ' A' ' 43' ' ' LEU . 45.6 tp -62.55 -41.5 98.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.499 -0.75 . . . . 0.0 109.261 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.77 -3.14 54.16 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.04 -45.4 93.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.051 -1.264 . . . . 0.0 109.022 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -107.8 -29.23 9.2 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.467 -0.77 . . . . 0.0 109.724 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.5 -106.65 0.08 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.2 -0.937 . . . . 0.0 110.242 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 61.37 32.08 19.13 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.65 -0.656 . . . . 0.0 109.89 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.6 t -158.12 130.6 7.14 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.179 -0.951 . . . . 0.0 109.173 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -77.17 147.64 36.38 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.195 -0.94 . . . . 0.0 110.42 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.43 -5.47 51.98 Favored Glycine 0 N--CA 1.5 2.902 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.7 mt -76.48 158.35 31.36 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.188 -1.184 . . . . 0.0 109.812 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -125.83 130.02 50.56 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -103.73 131.82 50.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.501 -0.749 . . . . 0.0 109.061 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -117.44 124.34 48.57 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.655 -0.653 . . . . 0.0 109.543 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.9 t -106.42 129.27 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.49 113.99 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.472 -0.768 . . . . 0.0 109.28 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -98.88 114.17 26.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.312 -0.868 . . . . 0.0 109.833 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.593 179.567 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -104.12 145.42 30.21 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 121.825 0.822 . . . . 0.0 109.574 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.0 pt -135.94 161.58 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.758 0.79 . . . . 0.0 110.087 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -108.11 128.19 54.47 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.691 0.758 . . . . 0.0 109.584 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.48 166.42 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 CA-C-O 121.825 0.821 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -102.13 141.56 34.77 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.706 0.765 . . . . 0.0 109.772 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.8 t -125.16 132.87 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 CA-C-O 121.764 0.792 . . . . 0.0 109.336 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 m -128.99 154.16 46.87 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.62 0.724 . . . . 0.0 109.871 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 23' ' ' SER . 54.8 t-20 -134.8 142.47 46.69 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.731 0.777 . . . . 0.0 109.742 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.518 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 68.2 m -78.51 -6.41 55.37 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.53 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 74.4 m80 -126.01 153.54 44.23 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.795 0.807 . . . . 0.0 110.533 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 56.55 3.9 0.13 Allowed 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.515 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 24' ' ' HIS . 93.2 m-20 45.77 29.01 0.63 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.11 119.67 16.62 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.53 0.681 . . . . 0.0 110.008 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.6 t -127.44 132.18 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.476 0.655 . . . . 0.0 109.58 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.21 136.34 53.06 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.547 0.689 . . . . 0.0 109.528 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -114.13 140.74 48.26 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.836 0.827 . . . . 0.0 110.579 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 55.57 47.75 20.17 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.275 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 32' ' ' VAL . 4.7 p -77.51 126.9 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-O 121.651 0.739 . . . . 0.0 110.275 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -89.58 115.9 27.33 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.689 0.757 . . . . 0.0 110.195 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.5 mt -135.72 133.64 38.26 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.581 0.705 . . . . 0.0 109.521 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.5 140.02 49.79 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.605 0.717 . . . . 0.0 110.213 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -70.66 -16.95 62.86 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.139 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -80.66 -2.87 48.46 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.691 -0.631 . . . . 0.0 110.057 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.0 mt -75.99 139.89 41.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.539 -0.726 . . . . 0.0 109.845 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.7 p -84.58 166.24 17.33 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.591 0.71 . . . . 0.0 109.882 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.87 -43.79 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.12 95.59 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -65.72 -37.71 87.16 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.508 HD22 HD13 ' A' ' 79' ' ' LEU . 55.7 tp -63.0 -40.92 99.23 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.15 -39.87 94.08 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 83.9 m -61.62 -45.57 93.53 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -64.24 -43.39 95.07 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.38 -39.8 92.71 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.1 tt0 -51.18 -47.68 62.12 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.87 -43.64 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-O 121.193 0.52 . . . . 0.0 109.6 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.15 -43.26 95.73 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.979 -0.45 . . . . 0.0 110.485 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.2 p -94.64 -15.86 23.64 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.877 -0.514 . . . . 0.0 109.712 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 64.08 17.7 61.53 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.72 -162.65 36.57 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.417 ' SG ' ' OG1' ' A' ' 57' ' ' THR . 0.8 OUTLIER -105.8 116.48 32.02 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.524 0.678 . . . . 0.0 109.192 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.64 -26.63 68.12 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.058 0.456 . . . . 0.0 109.891 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.91 -39.25 97.81 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.417 ' OG1' ' SG ' ' A' ' 54' ' ' CYS . 53.5 p -105.97 6.27 31.16 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.619 -0.93 . . . . 0.0 109.523 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.6 ttm -74.9 131.06 40.43 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.725 0.774 . . . . 0.0 110.229 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -123.83 140.88 52.55 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 121.673 0.749 . . . . 0.0 109.706 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.98 129.51 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-O 121.637 0.732 . . . . 0.0 109.685 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -130.77 129.17 42.12 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.749 0.785 . . . . 0.0 109.842 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.19 130.11 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 121.592 0.71 . . . . 0.0 109.9 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.48 ' HE1' ' HG ' ' A' ' 68' ' ' CYS . 30.8 m-85 -127.25 144.69 50.99 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.972 0.891 . . . . 0.0 110.098 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -149.0 92.17 1.94 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.42 -128.77 8.63 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -102.4 10.12 39.26 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.1 m -129.35 135.7 49.07 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.868 0.842 . . . . 0.0 110.469 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.48 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 3.2 m -82.07 130.29 35.04 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.44 0.638 . . . . 0.0 109.996 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -73.53 -55.07 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.2 t -175.85 165.9 3.04 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.668 0.747 . . . . 0.0 110.451 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.2 m -114.5 128.63 56.43 Favored 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.73 0.776 . . . . 0.0 109.474 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.0 mtt -68.85 92.22 0.49 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.377 0.608 . . . . 0.0 110.426 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.1 t0 -95.04 -24.65 16.8 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 61.3 t-20 -91.04 109.97 21.22 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.598 0.713 . . . . 0.0 110.301 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -72.26 -18.39 61.82 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 89.8 m-20 -92.07 7.44 42.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.767 -0.583 . . . . 0.0 109.442 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.38 153.07 20.7 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.665 0.745 . . . . 0.0 109.783 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -79.8 156.85 27.23 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.622 0.725 . . . . 0.0 110.177 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.508 HD13 HD22 ' A' ' 43' ' ' LEU . 40.0 tp -63.73 -41.79 97.99 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.5 -4.52 52.34 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.99 -45.09 94.08 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.971 -0.723 . . . . 0.0 109.142 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -104.94 -26.53 12.14 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.77 67.65 0.9 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.564 -0.71 . . . . 0.0 109.586 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -100.71 53.47 0.86 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 t -161.46 -131.77 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.454 0.645 . . . . 0.0 110.625 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 49.7 p-10 -169.01 139.47 2.32 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.753 0.787 . . . . 0.0 110.533 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.76 3.09 61.01 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.8 mt -72.14 153.71 41.49 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.907 -0.761 . . . . 0.0 110.069 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -116.16 129.25 56.23 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.724 0.773 . . . . 0.0 109.755 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.65 130.88 54.87 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.679 0.752 . . . . 0.0 109.738 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.518 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 83.8 t60 -104.53 118.48 36.7 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.73 0.776 . . . . 0.0 109.826 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.6 t -97.21 128.25 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-O 121.502 0.668 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.8 t -115.55 125.0 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-O 121.865 0.84 . . . . 0.0 109.762 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.53 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 27.0 p-10 -128.89 107.04 9.31 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.445 0.64 . . . . 0.0 109.6 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 117.863 -1.065 . . . . 0.0 110.03 179.577 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -128.83 146.2 50.99 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.632 -0.667 . . . . 0.0 109.641 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.0 pt -132.39 159.2 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.712 -0.617 . . . . 0.0 109.547 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -105.44 127.14 52.83 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.773 0.797 . . . . 0.0 110.196 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -135.93 162.49 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-O 121.44 0.638 . . . . 0.0 109.303 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -98.97 139.9 33.93 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -125.95 133.51 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 CA-C-O 121.725 0.774 . . . . 0.0 109.638 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.0 p -146.9 162.54 38.48 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.533 ' ND2' ' H ' ' A' ' 24' ' ' HIS . 14.4 t30 -130.8 154.16 48.31 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.933 0.873 . . . . 0.0 110.049 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -67.55 -15.11 63.49 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.304 0.573 . . . . 0.0 109.472 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.533 ' H ' ' ND2' ' A' ' 22' ' ' ASN . 79.6 m80 -131.04 167.06 19.71 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.275 -0.891 . . . . 0.0 109.996 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 58.64 151.25 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.807 0.813 . . . . 0.0 110.561 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.09 6.68 35.17 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.01 106.53 0.72 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.3 -0.875 . . . . 0.0 109.694 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -131.32 133.68 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.511 -0.743 . . . . 0.0 109.383 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.76 135.73 50.21 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLU . 99.0 m-85 -109.0 143.89 37.7 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.655 0.74 . . . . 0.0 110.369 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' PHE . 97.5 mt-10 35.02 66.72 0.29 Allowed 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 121.519 0.676 . . . . 0.0 111.005 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 p -90.54 128.4 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.225 -0.922 . . . . 0.0 109.13 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -81.58 120.21 24.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 110.09 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -132.99 135.46 45.49 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 121.52 0.676 . . . . 0.0 109.543 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.449 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -67.58 139.77 56.91 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.982 0.896 . . . . 0.0 109.957 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -75.49 -11.95 60.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.649 -0.657 . . . . 0.0 109.602 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -85.22 -0.52 54.9 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.111 -0.993 . . . . 0.0 109.565 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 93.1 mt -74.62 142.23 44.61 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.02 -1.05 . . . . 0.0 109.749 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 p -82.68 164.62 20.59 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 121.828 0.823 . . . . 0.0 110.102 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.51 -43.21 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.608 -0.683 . . . . 0.0 110.009 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.37 92.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.144 -0.972 . . . . 0.0 109.656 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.475 ' N ' ' OE1' ' A' ' 42' ' ' GLN . 3.5 mp0 -66.25 -35.61 80.86 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.355 -0.841 . . . . 0.0 109.029 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.409 HD22 HD13 ' A' ' 79' ' ' LEU . 57.9 tp -64.03 -39.27 93.71 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.454 -0.779 . . . . 0.0 109.251 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.61 -41.91 99.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.483 -0.76 . . . . 0.0 109.75 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.5 p -60.48 -44.23 96.14 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.225 -0.922 . . . . 0.0 109.835 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.423 ' NZ ' HD13 ' A' ' 38' ' ' LEU . 98.8 mttt -64.06 -44.3 92.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.156 -0.965 . . . . 0.0 109.476 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.59 -38.29 86.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 0.0 109.177 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.2 tt0 -52.61 -43.55 65.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.39 -0.819 . . . . 0.0 109.083 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.94 -44.01 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.21 -0.931 . . . . 0.0 109.242 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.97 -42.28 97.31 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.456 -0.778 . . . . 0.0 110.702 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.2 p -94.35 -16.4 23.52 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.928 -1.107 . . . . 0.0 109.427 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.94 22.68 74.12 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.7 -142.01 10.38 Favored Glycine 0 N--CA 1.494 2.56 0 O-C-N 121.247 -1.149 . . . . 0.0 110.414 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 m -135.41 114.32 12.05 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.492 -1.004 . . . . 0.0 109.056 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.95 -24.56 2.63 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.569 0.699 . . . . 0.0 110.006 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.35 6.45 72.36 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.3 p -133.85 -49.38 0.82 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.258 -1.143 . . . . 0.0 110.236 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.5 ptp -53.03 144.07 15.99 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.981 0.896 . . . . 0.0 111.044 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -109.5 149.24 29.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.646 -0.659 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.499 HG11 ' SD ' ' A' ' 72' ' ' MET . 54.0 t -116.9 128.45 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 CA-C-O 121.532 0.682 . . . . 0.0 109.44 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.78 145.26 42.17 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.477 -0.764 . . . . 0.0 109.455 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.48 132.16 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.512 -0.743 . . . . 0.0 109.566 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -125.63 147.35 49.35 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.874 0.845 . . . . 0.0 110.177 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -143.07 80.96 1.7 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.82 -127.73 8.79 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -97.41 4.36 50.64 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.427 -1.043 . . . . 0.0 109.363 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.4 m -124.08 131.13 53.52 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.327 -0.858 . . . . 0.0 110.438 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.449 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 28.0 p -78.13 122.92 26.26 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.535 0.683 . . . . 0.0 109.682 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 70' ' ' SER . 94.0 t -65.43 -46.73 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.2 m 167.52 174.4 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.142 -0.973 . . . . 0.0 110.293 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' ASP . 52.6 m -115.11 130.7 56.99 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 121.667 0.746 . . . . 0.0 109.69 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.499 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.5 mtt -62.29 73.72 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.745 0.784 . . . . 0.0 110.014 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 71' ' ' THR . 54.9 m-20 -66.57 -35.52 80.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.488 -0.758 . . . . 0.0 109.34 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -86.88 107.02 18.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.114 -0.991 . . . . 0.0 110.257 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 52.6 p30 -74.86 -16.7 60.67 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.651 0.739 . . . . 0.0 109.453 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 31.9 p-10 -93.32 0.74 57.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.175 -0.953 . . . . 0.0 109.468 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.49 162.66 23.16 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.171 -0.956 . . . . 0.0 110.229 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -83.27 158.38 22.27 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.861 0.838 . . . . 0.0 110.613 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.409 HD13 HD22 ' A' ' 43' ' ' LEU . 42.8 tp -63.54 -40.98 98.43 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.691 0.757 . . . . 0.0 109.976 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.33 -5.07 62.01 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -63.18 -44.12 96.3 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.301 -1.117 . . . . 0.0 109.361 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.96 -27.43 11.69 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.388 -0.82 . . . . 0.0 109.15 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.22 75.65 1.27 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.361 -0.837 . . . . 0.0 109.187 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -95.24 8.05 44.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.392 -0.817 . . . . 0.0 108.885 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.2 m -149.36 152.29 35.55 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.176 -0.953 . . . . 0.0 110.228 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -84.57 171.41 12.5 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.886 0.851 . . . . 0.0 111.281 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.92 -1.94 85.38 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.6 mt -77.06 154.01 33.79 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.361 -1.082 . . . . 0.0 109.934 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -119.82 131.79 55.4 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.851 0.834 . . . . 0.0 109.426 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.8 mt -103.7 132.74 49.68 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -114.66 129.8 56.72 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.487 0.66 . . . . 0.0 109.479 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.09 131.74 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.574 0.702 . . . . 0.0 109.309 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.95 119.3 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 94' ' ' ASP . 42.8 p-10 -127.43 108.14 10.57 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.733 0.778 . . . . 0.0 109.613 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 93.0 p . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 117.89 -1.052 . . . . 0.0 108.836 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 . . . . . 0 N--CA 1.495 1.783 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 15' ' ' PHE . 3.4 m-85 -128.01 153.09 47.15 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 pt -121.56 153.15 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.602 -0.686 . . . . 0.0 109.44 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -105.5 114.97 29.47 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.36 164.43 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.46 -0.775 . . . . 0.0 109.411 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -99.93 144.8 28.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.583 -0.698 . . . . 0.0 109.61 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.13 133.79 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 p -139.39 165.47 27.13 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.553 HD22 HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -143.82 131.73 21.55 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.193 -0.942 . . . . 0.0 109.631 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.532 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 60.2 m -63.23 -43.41 98.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.66 -0.65 . . . . 0.0 109.963 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -79.5 -79.42 0.14 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.589 -0.694 . . . . 0.0 110.411 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 58.7 t-20 -62.93 146.65 52.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.522 -0.736 . . . . 0.0 109.843 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.54 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 94.6 m-20 -89.24 0.86 56.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.611 -0.681 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.427 ' HB3' HD21 ' A' ' 22' ' ' ASN . . . -60.63 120.43 10.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.465 -0.772 . . . . 0.0 109.447 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -128.09 133.54 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.43 136.02 53.24 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' GLU . 93.7 m-85 -110.26 146.66 35.26 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.398 -0.814 . . . . 0.0 110.595 -178.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' PHE . 97.3 mt-10 40.58 59.1 2.21 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.353 0.596 . . . . 0.0 110.304 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 32' ' ' VAL . 9.9 p -89.8 121.58 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.428 -0.795 . . . . 0.0 109.06 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -75.39 133.18 41.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.443 -0.786 . . . . 0.0 110.137 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -137.33 130.93 31.46 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.418 -0.801 . . . . 0.0 109.277 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.5 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -69.22 141.57 54.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.449 -0.782 . . . . 0.0 109.548 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -70.65 -15.03 62.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.606 -0.684 . . . . 0.0 110.149 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -85.89 0.87 52.0 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.436 -0.79 . . . . 0.0 109.717 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.5 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 98.6 mt -74.21 139.67 44.55 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 109.984 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 80.5 p -88.75 165.71 14.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.595 -0.69 . . . . 0.0 109.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.54 -43.98 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.578 -0.701 . . . . 0.0 109.271 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.13 92.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.529 -0.732 . . . . 0.0 109.54 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.4 -36.09 82.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.354 -0.841 . . . . 0.0 109.198 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.22 -42.12 99.02 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.503 -0.748 . . . . 0.0 109.128 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.14 -42.41 99.22 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -0.854 . . . . 0.0 109.811 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.9 p -61.01 -42.87 99.28 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.271 -0.893 . . . . 0.0 109.348 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -63.42 -42.93 98.73 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.91 -39.28 93.81 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.574 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.1 tt0 -54.25 -44.6 71.91 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.3 -43.71 95.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.251 -0.906 . . . . 0.0 109.088 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -63.33 -45.2 92.37 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.676 -0.64 . . . . 0.0 109.908 -178.832 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 HD22 ' A' ' 22' ' ' ASN . 34.8 p -92.02 -12.84 32.1 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.121 -0.987 . . . . 0.0 109.367 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 63.91 18.1 61.68 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.48 -137.21 6.32 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.477 ' SG ' ' CG2' ' A' ' 57' ' ' THR . 0.5 OUTLIER -136.56 125.13 23.65 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.51 -0.994 . . . . 0.0 109.448 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.31 -13.44 61.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.582 -0.699 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.39 -4.83 75.58 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.477 ' CG2' ' SG ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -143.1 9.56 1.69 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.331 -1.099 . . . . 0.0 108.848 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 56.9 ttm -82.64 144.0 30.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.597 -0.69 . . . . 0.0 110.196 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -124.14 140.54 52.87 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.4 t -113.17 129.96 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -130.76 128.19 40.28 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -87.44 133.72 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.392 -0.817 . . . . 0.0 109.156 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -127.55 145.29 50.91 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.837 0.827 . . . . 0.0 110.219 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -143.96 92.77 2.37 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.81 -133.74 13.48 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -96.54 7.67 45.98 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.379 -1.071 . . . . 0.0 109.831 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -124.41 133.17 53.48 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.493 -0.754 . . . . 0.0 109.774 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.8 t -80.19 126.6 31.31 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.518 -0.739 . . . . 0.0 109.772 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.444 ' O ' ' CB ' ' A' ' 70' ' ' SER . 94.2 t -65.64 -45.34 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.467 -0.771 . . . . 0.0 109.751 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 168.44 176.5 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.322 -0.861 . . . . 0.0 109.398 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.7 m -116.81 129.66 56.23 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -66.21 92.29 0.18 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.354 -0.841 . . . . 0.0 110.129 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 40.4 p-10 -93.01 -21.15 19.93 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.291 -0.88 . . . . 0.0 109.501 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 85.5 m-20 -89.81 109.58 20.56 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.366 -0.834 . . . . 0.0 109.694 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -74.54 -16.63 60.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.477 -0.764 . . . . 0.0 109.622 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 34.9 p-10 -95.78 0.55 52.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.258 -0.901 . . . . 0.0 109.492 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.34 152.14 36.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.395 -0.816 . . . . 0.0 109.879 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.43 158.92 20.91 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.488 -0.758 . . . . 0.0 109.969 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.16 -42.08 99.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.575 -0.703 . . . . 0.0 109.835 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.79 -9.4 65.73 Favored Glycine 0 N--CA 1.492 2.372 0 C-N-CA 119.517 -1.325 . . . . 0.0 109.932 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.27 -45.49 91.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.216 -1.167 . . . . 0.0 109.416 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -104.39 -30.52 10.04 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.402 -0.811 . . . . 0.0 109.543 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.25 68.0 0.87 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.468 -0.77 . . . . 0.0 109.272 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -92.21 2.88 56.34 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.371 -0.83 . . . . 0.0 109.447 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.3 m -135.6 149.78 49.48 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.343 -0.848 . . . . 0.0 109.856 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -85.27 170.74 12.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.376 -0.828 . . . . 0.0 110.475 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.03 -2.91 87.19 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.5 mt -76.92 153.25 34.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.296 -1.12 . . . . 0.0 109.739 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -118.52 129.66 55.49 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.623 -0.673 . . . . 0.0 109.351 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -105.14 131.01 53.17 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.532 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 73.2 t60 -111.14 119.43 38.94 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.607 -0.683 . . . . 0.0 109.369 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.91 128.97 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.615 -0.678 . . . . 0.0 109.362 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.1 t -117.35 123.12 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -100.83 109.23 21.19 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.485 -0.759 . . . . 0.0 109.869 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.12 179.508 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 97.6 m-20 . . . . . 0 N--CA 1.498 1.937 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 14' ' ' ASP . 84.8 m-85 -138.6 130.7 28.33 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-N 122.224 2.284 . . . . 0.0 113.13 -177.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.5 pt -135.02 154.81 37.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 113.727 -1.579 . . . . 0.0 107.426 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -111.28 134.55 52.78 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.9 m -138.26 166.58 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.395 -0.816 . . . . 0.0 109.196 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -100.71 144.14 30.04 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.533 -0.729 . . . . 0.0 109.463 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -125.46 133.66 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 t -135.87 163.45 30.21 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.446 -0.784 . . . . 0.0 109.13 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' SER . 58.3 t-20 -134.95 143.87 47.11 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.446 -0.784 . . . . 0.0 109.69 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.522 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 67.3 m -74.65 -69.5 0.46 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.458 -0.776 . . . . 0.0 110.291 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.641 ' CD2' ' O ' ' A' ' 94' ' ' ASP . 60.4 m-70 -58.32 -44.16 88.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.413 -0.804 . . . . 0.0 110.179 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -92.14 146.43 23.72 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.242 -0.911 . . . . 0.0 110.208 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 26' ' ' ASP . 60.9 t0 -93.45 4.7 53.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.529 -0.732 . . . . 0.0 109.211 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.18 129.26 39.22 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.088 -1.008 . . . . 0.0 109.699 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.95 133.25 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.43 -0.794 . . . . 0.0 109.261 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.27 138.19 44.97 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.444 -0.785 . . . . 0.0 109.177 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -115.37 139.33 50.1 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.521 -0.737 . . . . 0.0 110.236 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 56.01 55.1 7.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.689 -0.632 . . . . 0.0 110.891 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 m -79.01 125.27 38.3 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 O-C-N 121.132 -0.98 . . . . 0.0 109.106 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -93.56 113.07 25.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.977 -1.077 . . . . 0.0 109.472 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.2 mt -133.32 135.06 44.58 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.448 -0.782 . . . . 0.0 109.246 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 14' ' ' ASP . . . -68.87 142.95 54.66 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.376 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -72.95 -11.85 60.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.557 -0.715 . . . . 0.0 109.501 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -84.25 1.16 46.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.168 -0.957 . . . . 0.0 109.656 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.4 mt -77.48 143.74 38.27 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.25 -0.906 . . . . 0.0 110.155 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.7 p -86.32 165.38 16.46 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.447 -0.783 . . . . 0.0 110.006 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.89 -44.12 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.619 -0.675 . . . . 0.0 109.879 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.44 88.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -0.916 . . . . 0.0 109.295 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.04 -37.9 84.91 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.323 -0.86 . . . . 0.0 109.061 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.414 HD22 HD13 ' A' ' 79' ' ' LEU . 56.5 tp -62.32 -43.46 98.77 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.402 -0.811 . . . . 0.0 109.18 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.05 -38.99 90.85 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.346 -0.846 . . . . 0.0 109.039 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.8 m -61.17 -46.39 90.7 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.275 -0.891 . . . . 0.0 109.17 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -63.71 -44.41 93.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.333 -0.854 . . . . 0.0 109.188 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.6 -38.68 90.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.549 -0.719 . . . . 0.0 109.283 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.8 tt0 -55.31 -48.05 74.71 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.541 -0.725 . . . . 0.0 109.221 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.9 -43.34 96.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.353 -0.842 . . . . 0.0 109.119 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.28 -41.97 99.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.56 -0.712 . . . . 0.0 110.312 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.1 p -93.09 -15.65 25.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.097 -1.002 . . . . 0.0 109.588 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.5 2.04 18.9 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.0 -171.91 32.49 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 t -97.43 120.8 38.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.506 -0.996 . . . . 0.0 109.293 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.32 -30.68 70.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.435 -0.791 . . . . 0.0 110.181 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.69 90.59 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.5 p -104.57 -5.02 21.87 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.261 -1.14 . . . . 0.0 109.997 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.0 ttp -87.24 125.71 34.37 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.065 -1.022 . . . . 0.0 109.992 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -113.71 150.57 33.1 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.5 t -113.29 132.85 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.536 -0.728 . . . . 0.0 109.385 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -129.5 137.81 51.01 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.64 -0.662 . . . . 0.0 109.292 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.5 t -90.32 130.86 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.463 -0.773 . . . . 0.0 108.999 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -128.63 146.56 50.83 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.881 0.848 . . . . 0.0 110.102 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -146.3 102.82 3.64 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.66 -0.866 . . . . 0.0 108.66 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.2 -129.6 20.67 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -102.25 12.0 37.34 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.538 -0.978 . . . . 0.0 109.755 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -127.64 132.67 49.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.441 -0.787 . . . . 0.0 110.187 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.0 p -78.73 135.26 37.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.527 -0.733 . . . . 0.0 109.626 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.46 -58.71 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 0.0 109.525 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 95.9 p -173.27 164.07 4.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.527 -0.733 . . . . 0.0 109.57 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 86.3 m -110.95 126.75 55.08 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.3 mtt -64.7 85.5 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.267 -0.896 . . . . 0.0 109.755 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 39.5 p-10 -94.63 -24.22 17.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.405 -0.809 . . . . 0.0 109.895 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 99.2 m-20 -92.33 107.25 19.07 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.223 -0.923 . . . . 0.0 110.087 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -64.56 -39.38 93.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.524 -0.735 . . . . 0.0 109.922 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -66.37 -0.93 2.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.4 -0.813 . . . . 0.0 109.863 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.46 152.03 23.52 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.241 -0.912 . . . . 0.0 109.995 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -89.23 164.46 14.95 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.472 -0.767 . . . . 0.0 110.207 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.414 HD13 HD22 ' A' ' 43' ' ' LEU . 44.0 tp -63.15 -41.49 99.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.508 -0.745 . . . . 0.0 109.292 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.4 -5.74 68.22 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -62.32 -44.76 95.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.234 -1.157 . . . . 0.0 108.825 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -101.72 -51.09 3.52 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.482 -0.761 . . . . 0.0 109.372 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.7 143.71 44.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.36 -0.838 . . . . 0.0 110.204 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -169.57 26.86 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 t -149.05 143.18 25.9 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.342 -0.849 . . . . 0.0 109.737 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -85.55 124.41 32.08 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.421 -0.799 . . . . 0.0 109.982 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.16 5.23 15.2 Favored Glycine 0 N--CA 1.502 3.046 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.08 154.12 40.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -1.078 . . . . 0.0 109.668 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -117.5 124.93 49.96 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.709 -0.62 . . . . 0.0 109.539 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.25 124.41 49.49 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.428 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 82.5 t60 -99.38 128.12 45.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.376 -0.828 . . . . 0.0 109.627 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.3 t -101.13 128.0 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.474 -0.766 . . . . 0.0 109.103 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.65 98.8 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.641 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 44.3 p-10 -109.46 141.83 41.34 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.46 -0.775 . . . . 0.0 109.308 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--N 1.305 -1.337 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.549 -179.051 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -131.9 158.47 41.3 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.429 -0.794 . . . . 0.0 109.047 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.7 pt -124.95 155.53 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.437 -0.789 . . . . 0.0 109.328 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -103.29 112.39 25.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.388 -0.82 . . . . 0.0 109.119 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 m -141.23 164.7 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.383 -0.823 . . . . 0.0 109.253 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.32 144.74 28.98 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.456 -0.777 . . . . 0.0 109.24 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.47 132.84 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.501 -0.749 . . . . 0.0 109.094 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 m -131.24 155.22 47.48 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -146.07 132.92 20.1 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.023 -1.048 . . . . 0.0 109.469 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.4 p -75.99 170.17 16.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.387 -0.821 . . . . 0.0 110.321 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.7 m80 54.46 15.27 0.97 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.586 -0.696 . . . . 0.0 109.439 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.524 ' OD1' ' HB3' ' A' ' 27' ' ' ALA . 3.6 t-20 -150.32 130.43 13.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.21 -0.931 . . . . 0.0 109.543 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -84.28 1.7 43.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.354 -0.841 . . . . 0.0 109.218 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.524 ' HB3' ' OD1' ' A' ' 25' ' ' ASN . . . -79.38 111.54 15.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.41 -0.806 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -127.01 133.62 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.56 149.72 26.88 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.395 -0.816 . . . . 0.0 109.341 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -128.0 146.15 50.75 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.391 -0.818 . . . . 0.0 110.171 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 46.87 51.81 12.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.606 -0.683 . . . . 0.0 110.309 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.6 p -92.63 126.21 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.065 -1.022 . . . . 0.0 109.335 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -74.16 135.27 42.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.269 -0.894 . . . . 0.0 109.893 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.87 131.34 37.25 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.409 -0.807 . . . . 0.0 109.452 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.66 135.42 51.35 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.359 -0.838 . . . . 0.0 109.842 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -75.17 -14.34 60.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.472 -0.768 . . . . 0.0 109.55 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -80.06 -0.95 37.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.579 -0.7 . . . . 0.0 109.366 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.26 138.18 40.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.314 -0.866 . . . . 0.0 110.16 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.433 ' OG1' ' OE1' ' A' ' 42' ' ' GLN . 15.1 p -89.43 168.32 12.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.507 -0.745 . . . . 0.0 109.851 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.79 -44.79 99.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.602 -0.686 . . . . 0.0 109.668 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.17 97.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.307 -0.871 . . . . 0.0 109.544 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.433 ' OE1' ' OG1' ' A' ' 39' ' ' THR . 6.1 mp0 -67.55 -36.3 80.71 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.8 tp -62.07 -43.13 99.5 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.31 -0.868 . . . . 0.0 109.065 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.62 -44.06 97.26 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.293 -0.879 . . . . 0.0 109.503 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.8 p -69.55 -39.51 77.39 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.073 -1.017 . . . . 0.0 109.755 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.26 -47.87 80.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.232 -0.918 . . . . 0.0 109.11 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.04 -38.86 89.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.444 -0.785 . . . . 0.0 109.351 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.7 tt0 -50.25 -47.01 55.29 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.396 -0.815 . . . . 0.0 109.034 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.11 -43.15 88.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.478 -0.764 . . . . 0.0 109.478 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.74 -42.66 99.77 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.289 -0.882 . . . . 0.0 110.228 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.5 p -94.42 -18.08 21.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.988 -1.07 . . . . 0.0 109.858 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 72.34 14.28 77.02 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.17 -171.12 37.6 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.1 t -105.68 111.82 24.65 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.542 -0.975 . . . . 0.0 109.294 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.83 -22.73 65.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.481 -0.762 . . . . 0.0 110.276 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.33 -3.59 25.84 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.443 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -152.09 9.61 0.51 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.026 -1.279 . . . . 0.0 109.183 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 37.4 ttp -91.86 127.52 37.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.141 -0.975 . . . . 0.0 109.612 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -116.76 151.43 36.45 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -117.57 133.73 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.537 -0.727 . . . . 0.0 109.083 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -127.96 138.65 52.7 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.578 -0.702 . . . . 0.0 109.409 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.96 134.69 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.394 -0.816 . . . . 0.0 109.214 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.462 ' HE1' ' HG ' ' A' ' 68' ' ' CYS . 29.4 m-85 -126.17 148.38 49.44 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.881 0.848 . . . . 0.0 110.172 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -148.75 95.56 2.44 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.95 -133.64 17.29 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -96.94 10.02 40.3 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.367 -1.078 . . . . 0.0 109.605 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.4 m -126.83 135.36 50.9 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.415 -0.803 . . . . 0.0 109.994 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.462 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 3.2 m -83.12 125.84 31.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.525 -0.735 . . . . 0.0 109.653 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.468 ' O ' ' CB ' ' A' ' 70' ' ' SER . 86.3 t -65.52 -45.87 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.327 -0.858 . . . . 0.0 109.585 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.1 m 166.03 175.92 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.387 -0.821 . . . . 0.0 109.201 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.8 m -113.66 131.69 56.06 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -64.6 84.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.29 -0.881 . . . . 0.0 109.841 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -94.6 -22.02 18.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.45 -0.782 . . . . 0.0 109.922 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -83.28 110.53 18.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.147 -0.971 . . . . 0.0 110.46 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -68.31 -33.69 74.77 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.71 -0.619 . . . . 0.0 109.849 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 p-10 -84.01 8.51 15.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.294 -0.879 . . . . 0.0 110.189 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.94 153.23 20.33 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.005 -1.06 . . . . 0.0 109.642 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -93.07 163.48 13.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.26 -0.9 . . . . 0.0 110.416 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.6 tp -63.31 -42.29 99.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.592 -0.693 . . . . 0.0 109.734 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.21 -7.5 63.36 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -63.25 -45.88 89.49 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.268 -1.137 . . . . 0.0 109.226 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -104.99 -30.25 9.92 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.556 -0.715 . . . . 0.0 109.504 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.58 71.66 1.09 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -100.79 7.19 43.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.387 -0.821 . . . . 0.0 109.195 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.8 m -134.48 148.55 50.58 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.408 -0.807 . . . . 0.0 109.528 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -84.79 169.38 14.26 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.269 -0.894 . . . . 0.0 110.466 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.95 -4.14 85.89 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.17 168.74 19.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.197 -1.178 . . . . 0.0 109.819 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -124.77 155.46 39.32 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.731 0.777 . . . . 0.0 109.954 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.6 mt -134.97 97.25 3.69 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -87.38 118.2 26.67 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 0.0 109.584 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.04 130.72 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.362 -0.836 . . . . 0.0 109.241 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.5 t -103.1 113.4 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.315 -0.866 . . . . 0.0 109.051 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 94' ' ' ASP . 45.0 p-10 -127.11 113.76 16.83 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.463 -0.773 . . . . 0.0 109.551 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.023 -179.627 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 . . . . . 0 N--CA 1.498 1.965 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -113.43 140.37 48.14 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.44 0.638 . . . . 0.0 109.621 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.6 pt -130.07 154.33 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.513 -0.742 . . . . 0.0 109.61 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -104.1 123.76 47.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.439 -0.788 . . . . 0.0 109.445 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.01 163.22 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.382 -0.824 . . . . 0.0 109.24 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -103.82 143.22 33.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.62 -0.675 . . . . 0.0 109.2 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.1 t -123.46 131.33 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.9 t -137.05 153.53 50.59 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.538 ' ND2' ' OD2' ' A' ' 94' ' ' ASP . 43.9 t30 -132.97 140.08 47.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.453 -0.78 . . . . 0.0 109.482 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.9 m -60.07 -37.6 80.4 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.58 -0.7 . . . . 0.0 109.754 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -105.01 153.29 21.65 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.335 -0.853 . . . . 0.0 109.899 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 70.25 149.41 0.08 Allowed 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.356 0.598 . . . . 0.0 109.783 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -90.72 6.08 45.54 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.63 106.68 0.58 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 109.207 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -131.34 134.49 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.506 -0.746 . . . . 0.0 109.035 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.31 148.36 32.08 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.373 -0.83 . . . . 0.0 109.034 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' GLU . 94.4 m-85 -124.51 143.91 50.4 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.424 -0.798 . . . . 0.0 110.321 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' PHE . 59.7 mm-40 40.97 42.75 1.6 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.317 0.579 . . . . 0.0 109.83 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.42 130.99 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.2 -0.938 . . . . 0.0 109.52 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -80.23 130.95 35.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.344 -0.848 . . . . 0.0 110.406 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -138.55 124.33 19.83 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.31 138.16 56.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.384 -0.822 . . . . 0.0 109.712 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -75.02 -16.26 60.61 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.672 -0.642 . . . . 0.0 110.154 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -81.54 -0.21 41.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 0.0 109.412 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.54 HD13 ' HZ2' ' A' ' 46' ' ' LYS . 65.1 mt -78.72 144.27 35.43 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.343 -0.848 . . . . 0.0 109.918 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.6 p -84.78 167.34 16.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.378 -0.826 . . . . 0.0 109.981 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.71 -44.28 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.687 -0.633 . . . . 0.0 109.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.18 95.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.284 -0.885 . . . . 0.0 109.753 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -65.28 -31.62 72.87 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.381 -0.825 . . . . 0.0 109.191 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.479 HD22 HD13 ' A' ' 79' ' ' LEU . 55.4 tp -72.65 -38.16 67.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.569 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -60.47 -46.63 89.37 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.244 -0.91 . . . . 0.0 110.198 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.401 ' H ' HG22 ' A' ' 45' ' ' THR . 1.8 t -63.03 -41.69 99.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.376 -0.828 . . . . 0.0 109.06 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.54 ' HZ2' HD13 ' A' ' 38' ' ' LEU . 97.6 mttt -62.6 -45.12 94.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.236 -0.915 . . . . 0.0 109.185 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.21 -38.92 89.11 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.436 -0.79 . . . . 0.0 109.199 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 52' ' ' GLY . 47.2 tp10 -51.35 -48.99 62.28 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.429 -0.794 . . . . 0.0 109.61 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.85 -44.05 96.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.803 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.7 -41.51 98.11 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.323 -0.86 . . . . 0.0 110.518 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 p -95.12 -13.44 25.08 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.055 -1.028 . . . . 0.0 109.618 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 54.19 21.02 17.23 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.443 ' O ' ' OE2' ' A' ' 48' ' ' GLU . . . -78.9 -121.1 0.29 Allowed Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.7 m -148.4 110.43 4.57 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.328 -1.101 . . . . 0.0 109.448 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.29 66.0 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.603 -0.685 . . . . 0.0 109.947 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.8 -5.41 90.06 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 58' ' ' MET . 18.9 p -132.61 -56.47 0.95 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.209 -1.171 . . . . 0.0 110.051 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.405 ' N ' ' OG1' ' A' ' 57' ' ' THR . 0.5 OUTLIER -42.36 145.71 0.38 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.391 -0.818 . . . . 0.0 110.568 -179.214 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -123.82 152.71 41.97 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.687 -0.633 . . . . 0.0 109.444 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.8 t -114.98 132.1 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.465 -0.772 . . . . 0.0 109.23 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -133.47 150.04 51.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.466 -0.771 . . . . 0.0 108.981 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.7 t -100.99 131.98 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.453 -0.779 . . . . 0.0 109.265 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -126.91 143.48 51.26 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.68 0.752 . . . . 0.0 109.402 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -136.89 83.58 2.01 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.89 -126.21 7.31 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 35.8 p-10 -98.23 7.84 45.67 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.419 -1.048 . . . . 0.0 109.843 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.4 m -123.05 131.78 53.84 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.475 -0.766 . . . . 0.0 109.981 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -82.92 119.99 25.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 109.534 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 70' ' ' SER . 94.0 t -64.65 -46.48 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.309 -0.87 . . . . 0.0 109.86 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER 164.77 -175.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.36 -0.837 . . . . 0.0 109.422 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.5 m -120.08 133.58 55.48 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.6 mtt -67.72 87.19 0.22 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.303 -0.873 . . . . 0.0 109.94 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.69 -22.74 19.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.435 -0.791 . . . . 0.0 109.599 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -88.86 105.97 18.08 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.429 -0.794 . . . . 0.0 110.55 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.12 -35.49 78.21 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.697 -0.627 . . . . 0.0 109.668 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -75.18 -4.79 40.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.503 -0.748 . . . . 0.0 109.969 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.57 152.48 28.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.221 -0.924 . . . . 0.0 109.983 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -83.97 162.93 20.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.379 -0.825 . . . . 0.0 110.614 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.479 HD13 HD22 ' A' ' 43' ' ' LEU . 43.8 tp -63.25 -41.22 99.04 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.57 -0.706 . . . . 0.0 109.273 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.59 -4.27 65.04 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -62.53 -45.16 94.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.317 -1.108 . . . . 0.0 109.273 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.03 -27.97 13.3 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.471 -0.768 . . . . 0.0 109.048 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.74 142.28 30.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.453 -0.779 . . . . 0.0 109.426 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -166.45 27.08 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.341 -0.849 . . . . 0.0 108.915 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -149.07 152.59 36.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.455 -0.778 . . . . 0.0 109.454 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -92.59 119.49 32.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.155 -0.966 . . . . 0.0 109.751 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.61 11.67 5.91 Favored Glycine 0 N--CA 1.501 2.997 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.18 151.97 42.58 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.397 -1.061 . . . . 0.0 109.356 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -116.43 125.34 51.88 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.8 mt -106.13 133.51 50.73 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -118.2 128.0 54.28 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.9 t -107.93 129.13 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.17 111.91 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.377 -0.827 . . . . 0.0 109.126 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.538 ' OD2' ' ND2' ' A' ' 22' ' ' ASN . 99.6 m-20 -99.86 113.58 26.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.314 -0.866 . . . . 0.0 110.039 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.141 179.621 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -113.33 155.89 24.36 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.1 pt -127.22 153.36 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.719 -0.613 . . . . 0.0 109.501 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -95.81 114.73 26.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.49 -0.756 . . . . 0.0 109.395 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.95 165.61 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.558 -0.714 . . . . 0.0 109.659 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -98.71 140.9 32.22 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.698 -0.626 . . . . 0.0 109.443 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.5 t -126.94 135.63 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.613 -0.679 . . . . 0.0 109.287 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.4 p -134.87 154.91 51.47 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.481 -0.762 . . . . 0.0 109.421 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 27' ' ' ALA . 78.7 m-20 -133.52 132.91 41.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.541 -0.724 . . . . 0.0 109.398 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.471 ' C ' ' H ' ' A' ' 25' ' ' ASN . 43.1 t -77.82 155.61 30.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.388 -0.82 . . . . 0.0 110.219 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 m80 68.06 -38.18 0.36 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.739 -0.601 . . . . 0.0 110.077 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 27' ' ' ALA . 98.9 m-20 -91.11 -7.32 51.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.081 -1.012 . . . . 0.0 109.034 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' ASN . 98.3 m-20 42.73 20.7 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.485 0.66 . . . . 0.0 109.613 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . -84.46 123.5 30.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.483 -0.761 . . . . 0.0 109.542 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.2 t -128.22 131.51 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.61 -0.681 . . . . 0.0 109.384 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.34 139.42 46.76 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLU . 95.5 m-85 -105.02 145.81 29.93 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.51 -0.744 . . . . 0.0 110.654 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' PHE . 98.5 mt-10 35.47 62.98 0.56 Allowed 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 121.32 0.581 . . . . 0.0 110.776 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 32' ' ' VAL . 11.5 p -90.32 127.02 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 108.704 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -82.36 120.17 25.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.247 -0.908 . . . . 0.0 110.04 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.4 mt -134.1 132.24 39.69 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.35 130.7 43.9 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.411 -0.806 . . . . 0.0 109.674 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 36' ' ' LYS . 49.3 pttt -74.64 -14.57 60.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.542 -0.724 . . . . 0.0 109.679 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -79.94 -2.43 43.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 0.0 109.406 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.1 mt -80.81 154.14 27.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.24 -0.912 . . . . 0.0 109.558 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.4 p -80.31 173.83 12.21 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.314 1.054 . . . . 0.0 110.492 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.47 -42.43 83.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 N-CA-C 102.066 -3.309 . . . . 0.0 102.066 173.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.5 -50.76 59.27 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 113.144 -1.844 . . . . 0.0 108.894 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.585 ' HA ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -67.15 -38.53 85.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.06 -1.025 . . . . 0.0 108.708 179.467 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.518 HD22 HD13 ' A' ' 79' ' ' LEU . 46.8 tp -62.27 -44.49 96.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.327 -0.858 . . . . 0.0 109.431 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.65 -40.82 98.22 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -61.68 -46.73 88.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.287 -0.883 . . . . 0.0 109.033 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -63.87 -46.47 84.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.207 -0.933 . . . . 0.0 109.177 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 47' ' ' LEU . 97.9 mt -64.5 -35.61 81.51 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.59 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.2 tt0 -58.59 -39.88 81.61 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.38 -43.69 97.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.7 tp -64.61 -41.78 95.97 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 121.332 0.587 . . . . 0.0 110.22 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.2 p -93.12 -11.24 33.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.131 -0.981 . . . . 0.0 109.682 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 53.35 16.76 5.16 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.61 -147.28 22.4 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -113.91 125.13 53.7 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.651 -0.911 . . . . 0.0 109.847 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.404 ' HB2' ' OE1' ' A' ' 48' ' ' GLU . . . -64.72 -34.77 79.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.425 -0.797 . . . . 0.0 110.006 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.07 -37.78 93.31 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -97.98 2.27 48.77 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.057 -1.26 . . . . 0.0 109.751 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.3 ttm -79.69 138.55 37.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.375 -0.828 . . . . 0.0 109.793 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -123.19 139.21 54.29 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.503 HG11 ' SD ' ' A' ' 72' ' ' MET . 51.7 t -114.36 131.67 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -130.67 123.82 30.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.494 -0.754 . . . . 0.0 109.708 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.83 131.86 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.595 -0.691 . . . . 0.0 109.421 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -129.24 144.59 51.28 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-O 121.819 0.818 . . . . 0.0 110.292 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -147.97 80.44 1.48 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.97 -136.53 12.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -94.66 6.55 48.57 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.395 -1.062 . . . . 0.0 110.278 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.6 m -126.51 136.31 52.44 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.394 -0.816 . . . . 0.0 110.23 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.8 t -78.03 122.73 25.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.523 -0.736 . . . . 0.0 109.322 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.26 -49.43 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.272 -0.893 . . . . 0.0 110.2 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.1 p -172.51 164.09 5.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.148 -0.97 . . . . 0.0 109.788 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.1 m -118.04 127.49 53.85 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.503 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.8 mtt -67.7 90.11 0.27 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.236 -0.915 . . . . 0.0 109.843 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 67.3 t0 -93.67 -30.24 15.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.438 -0.789 . . . . 0.0 109.714 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -90.86 111.43 22.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.293 -0.879 . . . . 0.0 109.648 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 51.8 p-10 -72.35 -19.13 61.69 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.341 -0.849 . . . . 0.0 109.857 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 23.9 p30 -88.01 0.09 56.37 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.363 -0.835 . . . . 0.0 109.646 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.1 153.9 27.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 109.574 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -81.87 157.01 24.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.381 -0.824 . . . . 0.0 110.301 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.518 HD13 HD22 ' A' ' 43' ' ' LEU . 38.5 tp -62.51 -41.9 99.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.5 -0.75 . . . . 0.0 109.678 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.66 -5.48 51.14 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -62.32 -46.42 88.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -1.158 . . . . 0.0 108.712 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -106.21 -29.33 9.9 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.607 -0.683 . . . . 0.0 109.275 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.71 69.61 1.61 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.521 -0.737 . . . . 0.0 109.215 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -98.16 7.14 46.71 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.359 -0.838 . . . . 0.0 109.505 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 t -141.67 145.72 35.27 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.327 -0.858 . . . . 0.0 109.473 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.4 p30 -83.02 169.69 15.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.335 -0.853 . . . . 0.0 110.025 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.4 -5.94 84.22 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -75.9 153.76 36.48 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.331 -1.099 . . . . 0.0 109.208 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -115.03 129.37 56.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.492 -0.755 . . . . 0.0 109.374 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.66 126.98 53.57 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -114.29 120.41 40.31 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.49 0.662 . . . . 0.0 109.539 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -93.48 131.12 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.595 -0.691 . . . . 0.0 109.368 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 49.1 t -118.08 113.31 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -102.15 111.59 23.94 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.549 -0.719 . . . . 0.0 109.77 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.906 -1.045 . . . . 0.0 109.42 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.326 0.584 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 35' ' ' ALA . 79.0 m-85 -129.74 147.17 51.49 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.551 -0.718 . . . . 0.0 109.576 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.2 pt -132.48 147.11 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.479 -0.763 . . . . 0.0 109.767 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -90.56 127.75 36.36 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.703 0.763 . . . . 0.0 110.274 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.1 162.06 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.476 -0.765 . . . . 0.0 109.949 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -100.4 138.14 37.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.461 -0.775 . . . . 0.0 109.237 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -125.2 132.78 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 CA-C-O 121.606 0.717 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.7 p -136.92 162.67 32.62 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.656 0.741 . . . . 0.0 109.656 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -143.39 139.79 30.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.391 -0.818 . . . . 0.0 109.431 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.3 m -60.41 -38.93 85.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.567 -0.708 . . . . 0.0 110.122 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.421 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 76.4 m80 -100.55 159.94 14.75 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.274 -0.891 . . . . 0.0 110.64 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m120 60.57 145.18 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.83 0.824 . . . . 0.0 109.942 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -85.08 9.34 15.08 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 0.0 108.749 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.84 107.3 1.77 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.529 -0.732 . . . . 0.0 109.625 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -131.46 133.78 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.86 139.29 42.67 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.516 -0.74 . . . . 0.0 109.17 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 31' ' ' GLU . 69.3 m-85 -111.83 145.59 39.17 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.686 -0.634 . . . . 0.0 110.266 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' PHE . 16.2 pt-20 33.52 45.11 0.08 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.4 0.619 . . . . 0.0 110.791 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.0 p -78.41 126.41 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -84.75 136.66 33.61 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.641 0.734 . . . . 0.0 110.574 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -137.1 142.89 42.32 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.477 -0.764 . . . . 0.0 109.611 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.475 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . . . -70.39 138.19 51.1 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.745 0.783 . . . . 0.0 109.482 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -75.09 -15.0 60.63 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.466 -0.771 . . . . 0.0 109.82 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.11 -1.35 43.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 109.436 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.462 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 96.1 mt -76.48 143.42 40.5 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.143 -0.973 . . . . 0.0 110.231 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.4 p -85.67 165.53 16.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.421 -0.799 . . . . 0.0 110.47 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.46 -43.52 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.68 -0.638 . . . . 0.0 110.09 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.93 98.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.191 -0.943 . . . . 0.0 109.836 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.26 -35.13 79.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.337 -0.852 . . . . 0.0 109.324 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.85 -39.48 94.31 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.551 -0.718 . . . . 0.0 109.381 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.511 ' HZ1' ' HB ' ' A' ' 60' ' ' VAL . 14.4 mptt -62.05 -42.8 99.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.478 -0.764 . . . . 0.0 109.276 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.4 p -59.66 -44.21 93.65 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.233 -0.917 . . . . 0.0 109.61 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -62.98 -43.18 99.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 109.473 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.58 -38.54 89.82 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.452 -0.78 . . . . 0.0 109.361 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.7 tt0 -56.78 -37.43 71.1 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.2 mm -68.6 -43.58 83.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.411 -0.806 . . . . 0.0 108.967 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.33 -40.84 96.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.435 -0.79 . . . . 0.0 110.146 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.2 p -94.15 -14.93 25.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.061 -1.024 . . . . 0.0 109.367 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 63.36 19.75 62.46 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.86 -145.84 16.55 Favored Glycine 0 N--CA 1.494 2.556 0 O-C-N 121.248 -1.148 . . . . 0.0 110.292 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 m -123.89 132.38 53.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.586 -0.949 . . . . 0.0 109.434 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.46 -13.83 60.4 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.685 -0.635 . . . . 0.0 109.607 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.59 -0.98 64.56 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.0 OUTLIER -146.46 17.85 1.33 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.415 -1.05 . . . . 0.0 108.29 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.7 ttm -87.71 132.85 33.98 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.448 -0.782 . . . . 0.0 110.628 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -127.02 133.75 50.47 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.511 ' HB ' ' HZ1' ' A' ' 44' ' ' LYS . 53.4 t -119.99 134.4 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.53 -0.731 . . . . 0.0 109.238 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.488 ' N ' ' CD ' ' A' ' 61' ' ' GLN . 2.0 mp0 -127.51 132.49 49.94 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.509 0.671 . . . . 0.0 109.214 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.5 t -83.56 134.14 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.53 -0.731 . . . . 0.0 109.837 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -126.67 144.65 50.85 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.89 0.852 . . . . 0.0 109.859 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -144.3 87.89 1.91 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.27 -127.56 8.01 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -100.91 11.72 39.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -1.097 . . . . 0.0 109.114 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.1 m -130.01 130.67 45.28 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.757 0.789 . . . . 0.0 110.266 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.5 t -79.23 124.69 28.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.448 -0.782 . . . . 0.0 109.721 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 70' ' ' SER . 88.3 t -65.97 -45.68 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.351 -0.843 . . . . 0.0 109.596 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 166.75 177.02 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.261 -0.899 . . . . 0.0 109.905 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 89.9 m -114.79 130.32 56.84 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.625 0.726 . . . . 0.0 109.515 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt -65.64 84.39 0.07 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.463 -0.773 . . . . 0.0 109.784 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.48 -20.06 21.36 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.613 -0.68 . . . . 0.0 109.414 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -89.5 104.99 17.5 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.07 -1.019 . . . . 0.0 109.937 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.94 -34.16 74.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.6 -0.688 . . . . 0.0 109.446 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 38.9 p-10 -77.32 -2.23 33.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.402 -0.811 . . . . 0.0 109.721 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.37 148.94 25.36 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.258 -0.901 . . . . 0.0 110.032 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -80.13 165.59 22.32 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.839 0.828 . . . . 0.0 110.615 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.46 -41.47 98.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.601 -0.687 . . . . 0.0 109.467 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.75 -3.88 51.6 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -62.5 -44.96 95.11 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.343 -1.093 . . . . 0.0 109.434 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -105.26 -27.73 11.36 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.477 -0.764 . . . . 0.0 109.078 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.42 80.63 2.1 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.434 -0.791 . . . . 0.0 109.318 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -101.88 11.69 38.21 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -146.43 147.94 31.77 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.275 -0.89 . . . . 0.0 109.975 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -82.55 167.68 18.11 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.351 -0.843 . . . . 0.0 110.592 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.84 -3.4 82.97 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.84 152.02 38.98 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.365 -1.08 . . . . 0.0 110.023 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -120.82 131.13 54.28 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.576 -0.703 . . . . 0.0 109.6 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -107.27 132.25 53.3 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -110.71 118.82 37.2 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.527 0.679 . . . . 0.0 109.498 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.3 t -91.17 130.11 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.695 -0.628 . . . . 0.0 109.613 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.05 103.04 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.421 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 39.2 p-10 -102.56 111.67 24.08 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.635 -0.666 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 117.979 -1.01 . . . . 0.0 108.964 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 N--CA 1.496 1.842 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.95 145.92 52.19 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.6 pt -133.17 160.92 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.511 -0.743 . . . . 0.0 109.971 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -116.8 120.74 39.49 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.92 168.02 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.536 -0.728 . . . . 0.0 109.718 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -98.89 141.67 31.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.495 -0.753 . . . . 0.0 109.461 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.9 t -122.97 132.91 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.524 -0.735 . . . . 0.0 109.426 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.9 t -150.69 178.13 9.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.458 -0.776 . . . . 0.0 109.618 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -147.61 167.15 25.3 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.304 -0.873 . . . . 0.0 109.849 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.8 t -63.01 -42.35 99.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.526 -0.734 . . . . 0.0 110.032 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -68.81 -10.52 57.24 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.224 -0.923 . . . . 0.0 108.611 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 27' ' ' ALA . 64.6 t-20 50.92 -121.38 1.77 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.58 -0.7 . . . . 0.0 109.908 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.413 ' H ' ' CG ' ' A' ' 25' ' ' ASN . 99.1 m-20 57.32 -68.99 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.391 0.615 . . . . 0.0 109.939 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . -97.25 118.44 33.71 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.328 -0.858 . . . . 0.0 109.811 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.23 133.71 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.47 129.33 55.56 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -111.02 148.13 33.24 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.562 0.696 . . . . 0.0 110.204 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 55.43 60.81 3.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.723 -0.611 . . . . 0.0 110.337 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 1.6 m -85.95 129.81 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 121.086 -1.009 . . . . 0.0 109.414 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -107.01 106.13 16.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.318 -0.863 . . . . 0.0 108.803 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.2 mt -127.15 144.13 51.11 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.482 -0.761 . . . . 0.0 109.193 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.31 144.11 42.59 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.525 -0.734 . . . . 0.0 110.359 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -72.84 -12.99 61.19 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.548 -0.72 . . . . 0.0 109.588 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -81.1 -0.79 41.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.276 -0.89 . . . . 0.0 109.743 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.5 142.3 37.55 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.878 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.5 p -84.66 165.87 17.55 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.304 -0.873 . . . . 0.0 110.267 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.22 -43.35 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.591 -0.693 . . . . 0.0 109.605 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.05 96.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.269 -0.895 . . . . 0.0 109.579 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.78 -36.47 82.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 0.0 108.962 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.482 HD22 HD13 ' A' ' 79' ' ' LEU . 55.7 tp -62.92 -42.6 99.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.391 -0.818 . . . . 0.0 109.137 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -63.11 -38.37 90.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.504 -0.747 . . . . 0.0 109.489 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.0 m -59.93 -46.25 89.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.376 -0.828 . . . . 0.0 109.148 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.66 -43.68 96.02 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.297 -0.877 . . . . 0.0 109.223 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.87 -38.85 92.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.363 -0.836 . . . . 0.0 109.327 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.7 tt0 -54.78 -48.05 73.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.298 -0.876 . . . . 0.0 109.257 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.75 -43.51 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.9 . . . . 0.0 109.431 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.21 -41.7 96.93 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.469 -0.769 . . . . 0.0 110.483 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.6 p -94.56 -13.64 25.81 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.991 -1.068 . . . . 0.0 109.365 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.84 11.32 53.97 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.52 -159.41 23.55 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.2 m -118.89 122.17 41.68 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.657 -0.908 . . . . 0.0 109.336 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.94 68.65 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.515 -0.741 . . . . 0.0 109.777 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.83 -5.79 33.62 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 t -140.73 1.92 1.75 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.168 -1.196 . . . . 0.0 109.332 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.2 ttm -78.94 139.43 38.25 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 110.193 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -124.71 141.09 52.35 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.565 -0.709 . . . . 0.0 109.602 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.3 t -115.17 132.32 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.675 -0.641 . . . . 0.0 109.327 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -127.87 130.49 48.64 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.14 132.58 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.397 -0.814 . . . . 0.0 109.565 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -127.05 144.88 50.91 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.759 0.79 . . . . 0.0 110.109 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -141.31 82.62 1.83 Allowed 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.41 -129.03 9.06 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -96.87 3.98 51.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.469 -1.018 . . . . 0.0 109.603 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.1 m -126.26 132.71 51.64 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.45 -0.781 . . . . 0.0 110.461 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 p -80.77 125.2 29.77 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.507 -0.745 . . . . 0.0 110.047 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.448 ' O ' ' OG ' ' A' ' 70' ' ' SER . 11.2 t -66.05 -44.88 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.406 -0.809 . . . . 0.0 109.31 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 69' ' ' VAL . 2.2 m 171.4 179.16 0.06 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.433 -0.792 . . . . 0.0 109.345 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 99.1 m -119.0 130.43 55.68 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.431 0.634 . . . . 0.0 109.64 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.3 mtt -63.81 84.98 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.588 -0.695 . . . . 0.0 109.603 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 28.5 p30 -93.57 -19.92 20.73 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.466 -0.771 . . . . 0.0 109.678 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 55.3 t-20 -95.42 106.35 18.4 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.162 -0.961 . . . . 0.0 110.065 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -67.47 -35.48 79.27 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.713 -0.617 . . . . 0.0 110.025 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -73.88 -4.49 35.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 110.115 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.87 153.8 27.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.126 -0.984 . . . . 0.0 110.509 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -81.57 162.38 23.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.584 -0.698 . . . . 0.0 110.477 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.482 HD13 HD22 ' A' ' 43' ' ' LEU . 40.5 tp -63.12 -41.8 99.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.471 -0.768 . . . . 0.0 109.714 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.88 -3.67 56.29 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -63.08 -44.98 94.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.337 -1.096 . . . . 0.0 109.598 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -106.26 -31.0 8.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.501 -0.75 . . . . 0.0 109.426 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.43 77.65 1.3 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.476 -0.765 . . . . 0.0 109.178 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -100.22 5.86 44.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.439 -0.788 . . . . 0.0 109.397 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.2 m -134.63 149.09 50.52 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.365 -0.834 . . . . 0.0 109.807 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -84.86 171.56 12.12 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.435 -0.791 . . . . 0.0 110.377 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.79 -1.88 87.94 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.6 mt -78.89 160.38 27.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.369 -1.077 . . . . 0.0 110.081 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -126.18 135.87 52.16 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.481 0.657 . . . . 0.0 109.685 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.1 mt -107.86 129.91 55.04 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -112.32 114.58 27.41 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.0 t -96.57 126.98 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.373 -0.83 . . . . 0.0 109.427 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.59 117.08 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -112.92 145.46 40.71 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.408 0.623 . . . . 0.0 109.942 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.008 179.683 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -111.03 146.71 36.23 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.555 -0.716 . . . . 0.0 110.105 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.2 pt -127.23 159.87 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -101.35 119.75 39.23 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.312 -0.868 . . . . 0.0 109.619 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -138.55 165.17 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.532 -0.73 . . . . 0.0 109.636 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -102.04 142.54 33.15 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.621 -0.674 . . . . 0.0 109.523 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -125.83 135.08 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.624 -0.672 . . . . 0.0 109.188 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 96.5 p -145.27 166.16 26.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.337 -0.852 . . . . 0.0 108.871 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.512 HD22 HG22 ' A' ' 51' ' ' THR . 28.7 p30 -143.02 154.28 43.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.237 -0.914 . . . . 0.0 109.935 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 m -62.51 -41.77 99.06 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.574 -0.704 . . . . 0.0 110.17 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 25' ' ' ASN . 75.9 m80 -91.66 153.15 19.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.136 -0.977 . . . . 0.0 110.62 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' HIS . 75.0 m-20 59.08 143.2 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.673 0.749 . . . . 0.0 110.599 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.8 4.08 34.68 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.84 109.23 0.6 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.494 -0.754 . . . . 0.0 109.664 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -126.15 133.36 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.525 -0.734 . . . . 0.0 109.228 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.8 139.79 36.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -118.49 143.62 46.6 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.504 -0.748 . . . . 0.0 110.296 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 48.24 51.41 14.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.561 -0.712 . . . . 0.0 109.573 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 32' ' ' VAL . 9.8 p -84.44 125.46 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.343 -0.848 . . . . 0.0 109.587 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -81.85 120.16 24.83 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.309 -0.869 . . . . 0.0 109.994 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.3 mt -135.58 138.3 42.84 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.478 -0.764 . . . . 0.0 109.246 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.36 127.82 33.84 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.438 -0.789 . . . . 0.0 109.803 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -75.39 -11.74 60.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.58 -0.7 . . . . 0.0 109.834 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -80.46 -1.11 40.19 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.197 -0.939 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -77.19 149.84 35.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.349 -0.845 . . . . 0.0 111.008 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.1 p -83.17 165.27 19.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.497 -0.752 . . . . 0.0 110.292 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.51 -43.71 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.502 -0.749 . . . . 0.0 109.933 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.16 98.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.239 -0.913 . . . . 0.0 110.066 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -65.26 -34.66 78.87 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.203 -0.936 . . . . 0.0 109.21 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.458 HD22 HD13 ' A' ' 79' ' ' LEU . 57.0 tp -62.74 -41.01 98.97 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.389 -0.819 . . . . 0.0 109.044 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.82 -40.08 91.38 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.336 -0.852 . . . . 0.0 109.103 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m -61.21 -45.9 92.66 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.289 -0.882 . . . . 0.0 109.272 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -63.58 -43.51 96.79 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.317 -0.864 . . . . 0.0 109.142 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.15 -38.91 93.05 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.9 tt0 -54.08 -46.23 71.96 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.248 -0.907 . . . . 0.0 109.45 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.12 -43.43 98.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 120.717 -1.24 . . . . 0.0 108.979 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.04 -45.21 82.25 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.323 -0.86 . . . . 0.0 111.355 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.512 HG22 HD22 ' A' ' 22' ' ' ASN . 67.5 p -107.1 -47.23 3.73 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.157 -0.965 . . . . 0.0 110.352 -178.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 76.64 23.76 69.25 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.81 34.32 2.98 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.5 m 64.96 109.46 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.652 -0.91 . . . . 0.0 110.184 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.76 78.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.753 -0.592 . . . . 0.0 109.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.88 -34.79 90.83 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 m -98.56 -11.57 22.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.161 -1.199 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.5 ttm -68.87 140.33 55.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 109.801 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -127.23 146.5 50.4 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.594 -0.691 . . . . 0.0 109.233 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG11 ' SD ' ' A' ' 72' ' ' MET . 49.9 t -114.03 131.9 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.608 -0.683 . . . . 0.0 109.172 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -133.63 133.09 41.54 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.2 t -90.01 132.55 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.379 -0.826 . . . . 0.0 109.428 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -128.8 147.78 50.82 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.664 -0.648 . . . . 0.0 109.502 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -142.51 95.84 2.85 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.73 -96.44 1.29 Allowed Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -133.74 24.16 3.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.507 -0.996 . . . . 0.0 109.171 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.4 t -140.01 144.39 36.91 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.352 -0.843 . . . . 0.0 110.173 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.33 120.4 30.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.543 -0.723 . . . . 0.0 109.974 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.38 -44.9 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.248 -0.907 . . . . 0.0 109.142 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 m 172.61 170.31 0.12 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.507 -0.746 . . . . 0.0 109.081 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' ASP . 53.7 m -110.96 128.4 55.82 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.632 -0.668 . . . . 0.0 109.307 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.45 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.3 mtt -63.19 83.25 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.24 -0.913 . . . . 0.0 109.302 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 48.0 p-10 -90.93 -23.4 20.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.39 -0.819 . . . . 0.0 109.305 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 25.7 t-20 -95.57 105.37 17.34 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.324 -0.86 . . . . 0.0 109.851 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -65.49 -37.75 87.73 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.629 -0.669 . . . . 0.0 109.73 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -62.87 -3.89 1.84 Allowed 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.287 -0.883 . . . . 0.0 109.238 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.428 ' N ' ' OD1' ' A' ' 74' ' ' ASN . . . -82.27 154.07 25.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.337 -0.852 . . . . 0.0 109.985 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -90.46 162.43 15.08 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.34 -0.85 . . . . 0.0 110.226 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.458 HD13 HD22 ' A' ' 43' ' ' LEU . 47.2 tp -64.22 -40.07 95.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.598 -0.689 . . . . 0.0 109.679 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.84 -6.22 71.97 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -62.93 -44.25 96.59 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.488 -1.007 . . . . 0.0 109.23 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -106.48 -27.79 10.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.624 -0.672 . . . . 0.0 109.347 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.8 64.4 1.08 Allowed 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.9 p30 -96.29 8.37 44.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.471 -0.768 . . . . 0.0 109.565 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -137.66 141.19 41.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.305 -0.872 . . . . 0.0 109.703 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.55 162.08 24.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.493 -0.755 . . . . 0.0 110.469 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.58 -1.24 75.35 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.1 mt -77.16 155.77 32.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.304 -1.115 . . . . 0.0 110.072 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -116.01 125.92 53.12 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -105.05 131.1 52.98 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -119.5 128.67 54.19 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.4 t -101.99 130.34 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 88.8 t -111.41 110.82 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.656 -0.653 . . . . 0.0 109.324 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -96.99 141.05 30.62 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.476 -0.765 . . . . 0.0 109.738 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.91 179.884 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -129.73 145.24 51.55 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.584 0.707 . . . . 0.0 109.135 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 pt -128.31 152.38 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 CA-C-O 121.708 0.766 . . . . 0.0 110.263 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -99.16 118.28 35.54 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.725 0.774 . . . . 0.0 110.417 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.13 165.75 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 CA-C-O 121.653 0.74 . . . . 0.0 109.923 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' A' ' 20' ' ' VAL . 61.2 t-20 -101.89 141.82 34.15 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.541 0.686 . . . . 0.0 109.675 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.511 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 54.9 t -124.68 133.42 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.918 0.866 . . . . 0.0 109.623 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 t -135.15 148.37 49.71 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.596 0.712 . . . . 0.0 109.832 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -119.48 133.02 55.88 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.788 0.804 . . . . 0.0 109.549 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.8 t -63.54 -44.48 94.06 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.934 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -116.97 82.24 1.77 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.63 0.729 . . . . 0.0 110.162 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -175.22 -24.03 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.709 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.0 t0 62.75 -0.56 0.55 Allowed 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 25' ' ' ASN . . . -95.04 129.78 41.99 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.642 0.735 . . . . 0.0 110.21 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -129.71 132.01 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-O 121.601 0.715 . . . . 0.0 110.056 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.14 136.47 44.58 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.444 0.64 . . . . 0.0 109.476 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -116.18 142.25 47.07 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.933 0.873 . . . . 0.0 111.197 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 51.75 48.72 22.28 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.468 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 32' ' ' VAL . 6.2 p -90.77 116.56 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-O 121.774 0.797 . . . . 0.0 109.728 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -83.2 130.42 35.09 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.852 0.834 . . . . 0.0 109.899 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.4 mt -139.61 142.0 37.1 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.664 0.745 . . . . 0.0 109.588 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.31 129.2 39.0 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.817 0.818 . . . . 0.0 110.015 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -75.51 -15.4 60.4 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.958 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -80.92 -2.07 46.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.741 -0.599 . . . . 0.0 109.66 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.495 HD13 ' NZ ' ' A' ' 46' ' ' LYS . 77.3 mt -76.56 145.57 38.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 109.982 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.2 p -85.81 166.38 16.1 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 121.622 0.725 . . . . 0.0 110.106 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.54 -43.45 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 CA-C-O 121.173 0.511 . . . . 0.0 109.779 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.61 -44.55 89.95 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.753 -0.592 . . . . 0.0 109.598 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.19 -41.15 90.64 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.757 -0.59 . . . . 0.0 109.447 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.81 -38.56 89.27 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.02 -42.54 90.4 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.792 -0.568 . . . . 0.0 109.526 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.9 p -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.495 ' NZ ' HD13 ' A' ' 38' ' ' LEU . 98.6 mttt -63.35 -41.8 98.86 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.61 -38.45 91.05 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 52' ' ' GLY . 12.0 tm-20 -54.27 -47.36 72.41 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.876 -0.515 . . . . 0.0 109.926 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 92.0 mt -66.16 -42.84 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.61 -41.95 98.25 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.971 -0.456 . . . . 0.0 110.318 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 p -94.03 -16.52 23.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.633 -0.667 . . . . 0.0 109.452 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.38 15.49 61.39 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.18 -157.27 31.84 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -111.87 123.28 49.91 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.612 0.72 . . . . 0.0 109.49 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 -23.19 67.17 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 121.226 0.536 . . . . 0.0 109.808 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.9 -42.14 99.54 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -106.55 10.91 31.09 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.498 -1.001 . . . . 0.0 109.897 -178.821 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.6 ttm -77.69 135.64 38.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.447 -0.783 . . . . 0.0 110.169 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -131.09 138.17 49.43 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.588 0.709 . . . . 0.0 109.641 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.514 HG11 ' SD ' ' A' ' 72' ' ' MET . 53.3 t -110.51 131.44 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-O 121.617 0.723 . . . . 0.0 109.495 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -133.57 123.58 25.38 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.734 0.778 . . . . 0.0 109.789 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.6 t -78.07 134.31 28.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-O 121.569 0.699 . . . . 0.0 109.577 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -126.38 146.74 49.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.06 0.933 . . . . 0.0 110.33 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -152.93 95.86 2.03 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.19 -129.44 10.6 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.6 p30 -98.9 7.53 45.93 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 122.089 -0.653 . . . . 0.0 109.351 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.6 m -129.36 134.58 47.95 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.89 0.853 . . . . 0.0 110.903 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.8 m -82.65 124.73 30.46 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.329 0.585 . . . . 0.0 109.469 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.6 t -66.7 -50.04 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.886 -0.509 . . . . 0.0 110.159 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -174.55 170.32 3.51 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.766 0.793 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 73' ' ' ASP . 64.7 m -116.34 127.19 54.45 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.445 0.64 . . . . 0.0 109.405 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.514 ' SD ' HG11 ' A' ' 60' ' ' VAL . 64.4 mtt -68.75 65.12 0.12 Allowed 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.481 0.658 . . . . 0.0 109.421 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 71' ' ' THR . 36.9 p-10 -82.19 -7.09 59.61 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.63 110.08 21.9 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.736 0.779 . . . . 0.0 109.523 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 43.7 p-10 -75.06 -17.07 60.54 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 36.2 p30 -93.44 -2.34 54.67 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.97 151.98 28.22 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.703 0.763 . . . . 0.0 110.462 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -85.15 159.8 20.07 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.617 0.722 . . . . 0.0 110.452 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.14 -39.8 94.8 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.37 -9.33 77.33 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -62.99 -44.5 95.87 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.723 -0.869 . . . . 0.0 109.126 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -104.8 -25.97 12.43 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.34 70.55 0.97 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.587 -0.696 . . . . 0.0 109.135 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.0 p30 -97.24 12.01 34.41 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.1 t -149.48 149.25 30.47 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.707 0.765 . . . . 0.0 110.065 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -83.52 167.83 17.03 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.481 0.657 . . . . 0.0 110.251 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.05 -1.95 85.17 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.66 154.24 34.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.826 -0.808 . . . . 0.0 110.274 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -122.18 128.7 51.54 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.759 0.79 . . . . 0.0 109.997 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.1 mt -104.58 131.47 51.95 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.431 0.634 . . . . 0.0 109.832 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -114.63 116.85 29.39 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.642 0.735 . . . . 0.0 109.62 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 87.1 t -90.91 132.26 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 121.419 0.628 . . . . 0.0 109.698 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -118.77 116.24 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 CA-C-O 121.759 0.79 . . . . 0.0 109.553 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -112.47 111.95 23.16 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.582 0.706 . . . . 0.0 110.036 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.66 179.278 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.504 ' OD1' ' NZ ' ' A' ' 36' ' ' LYS . 31.2 t70 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -129.06 147.02 50.88 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.506 -0.746 . . . . 0.0 109.243 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.9 pt -137.68 154.42 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.306 -0.871 . . . . 0.0 109.33 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -112.04 129.85 56.07 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.482 -0.761 . . . . 0.0 109.329 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 m -140.96 163.82 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.214 -0.929 . . . . 0.0 109.144 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 29' ' ' ALA . 11.2 t-20 -98.35 144.37 27.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.356 -0.84 . . . . 0.0 109.029 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.3 t -122.18 133.3 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.408 -0.807 . . . . 0.0 108.99 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.3 t -134.05 152.75 51.97 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -135.47 145.0 46.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.35 -0.844 . . . . 0.0 109.98 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.7 m -60.8 -41.32 95.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.542 -0.724 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -93.26 148.8 21.72 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.979 -1.075 . . . . 0.0 110.463 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 58.7 t-20 61.23 141.87 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.6 0.714 . . . . 0.0 110.246 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 94.8 m-20 -82.47 10.6 6.89 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.87 108.3 0.84 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.886 . . . . 0.0 109.717 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.4 t -126.01 134.03 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 121.429 -0.795 . . . . 0.0 109.132 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.522 ' O ' ' ND2' ' A' ' 19' ' ' ASN . . . -101.81 145.8 28.67 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.437 -0.79 . . . . 0.0 108.904 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' GLU . 92.3 m-85 -113.18 140.09 48.22 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.409 -0.807 . . . . 0.0 110.198 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' PHE . 71.7 mm-40 36.7 73.36 0.09 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.36 0.6 . . . . 0.0 110.724 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.529 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.7 m -86.86 123.77 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.163 -0.961 . . . . 0.0 109.642 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -81.52 117.31 21.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.068 -1.02 . . . . 0.0 109.591 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -137.52 137.33 38.51 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.146 -0.971 . . . . 0.0 109.452 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.44 141.9 50.26 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.438 -0.789 . . . . 0.0 109.963 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' A' ' 14' ' ' ASP . 7.9 mtmp? -73.78 -13.72 60.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.826 . . . . 0.0 109.877 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -78.48 -1.32 33.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.325 -0.859 . . . . 0.0 109.405 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.67 142.6 35.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.193 -0.942 . . . . 0.0 110.138 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 p -86.93 169.39 12.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.253 -0.904 . . . . 0.0 109.587 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.36 -43.13 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 0.0 109.219 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.85 79.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.08 -1.013 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -64.92 -39.48 93.58 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.341 -0.849 . . . . 0.0 109.276 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.9 -41.3 99.39 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.351 -0.843 . . . . 0.0 109.413 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.03 -38.8 87.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 0.0 109.473 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.9 m -60.09 -47.51 85.59 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.188 -0.945 . . . . 0.0 109.899 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.18 -42.14 96.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.947 -1.096 . . . . 0.0 109.318 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.41 -38.66 92.0 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.278 -0.889 . . . . 0.0 108.77 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' GLY . 84.6 tt0 -53.98 -44.64 70.99 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.35 -0.843 . . . . 0.0 109.115 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 31.8 mm -67.79 -44.01 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.057 -1.027 . . . . 0.0 109.921 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.94 -43.49 87.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.075 -1.016 . . . . 0.0 111.227 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 p -93.52 -14.97 25.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.864 -1.147 . . . . 0.0 109.912 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.18 0.43 7.56 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.8 -174.44 29.72 Favored Glycine 0 N--CA 1.494 2.559 0 O-C-N 121.417 -1.049 . . . . 0.0 110.876 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -95.69 124.46 39.72 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.556 -0.967 . . . . 0.0 109.538 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.08 -13.69 61.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.277 -0.889 . . . . 0.0 110.098 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.12 -5.42 76.14 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -140.46 7.63 2.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.249 -1.147 . . . . 0.0 108.814 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.1 ttm -77.96 136.15 37.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.034 -1.042 . . . . 0.0 109.938 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -116.77 145.78 43.27 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.643 -0.661 . . . . 0.0 109.358 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.0 t -117.76 133.23 65.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -133.03 139.15 47.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.235 -0.915 . . . . 0.0 109.619 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.3 t -95.96 131.46 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.861 . . . . 0.0 109.212 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.516 ' HE1' ' HG ' ' A' ' 68' ' ' CYS . 39.1 m-85 -129.46 141.16 51.08 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.483 -0.76 . . . . 0.0 109.297 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -130.32 82.06 2.04 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.65 -98.38 2.38 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -130.67 30.68 4.63 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.433 -1.039 . . . . 0.0 109.134 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.9 t -144.39 153.79 42.32 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.091 -1.005 . . . . 0.0 109.917 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.516 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 3.6 m -93.06 134.34 35.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.372 -0.83 . . . . 0.0 109.632 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 t -91.2 -51.67 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 109.364 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.2 t -172.75 164.66 5.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.194 -0.941 . . . . 0.0 109.64 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.4 m -113.11 128.45 56.49 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.545 -0.722 . . . . 0.0 109.056 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.4 mtt -71.7 81.48 0.85 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 109.929 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 39.4 p-10 -95.48 -18.64 20.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.158 -0.963 . . . . 0.0 109.518 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 52.2 t-20 -90.28 111.09 22.16 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.062 -1.024 . . . . 0.0 110.174 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.95 -26.79 62.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.279 -0.888 . . . . 0.0 109.85 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 93.1 m-20 -81.14 -2.26 47.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.163 -0.96 . . . . 0.0 109.535 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.78 155.47 23.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.134 -0.979 . . . . 0.0 109.977 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -89.81 163.7 14.94 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.381 -0.824 . . . . 0.0 110.232 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.7 tp -62.98 -42.48 99.85 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.489 -0.757 . . . . 0.0 109.644 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.21 -1.61 50.58 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -62.63 -44.66 95.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.235 -1.156 . . . . 0.0 109.44 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -105.95 -32.11 8.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.327 -0.858 . . . . 0.0 109.636 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.36 80.35 1.69 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.367 -0.833 . . . . 0.0 109.145 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -95.08 5.81 50.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.242 -0.911 . . . . 0.0 108.897 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 90.6 p -137.03 153.36 50.65 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.349 -0.845 . . . . 0.0 110.069 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.39 168.84 13.45 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.389 -0.819 . . . . 0.0 110.376 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.32 -2.04 84.79 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.46 154.78 36.82 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.353 -1.087 . . . . 0.0 109.556 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -120.22 126.01 49.57 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -102.31 133.86 46.54 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.336 -0.852 . . . . 0.0 109.022 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -115.62 123.47 48.48 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.485 -0.76 . . . . 0.0 109.119 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.84 131.81 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.385 -0.822 . . . . 0.0 108.9 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -118.92 124.55 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.443 -0.786 . . . . 0.0 109.02 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' O ' ' OG ' ' A' ' 95' ' ' SER . 97.6 m-20 -118.65 140.72 49.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.58 -0.7 . . . . 0.0 109.69 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 94' ' ' ASP . 4.8 p . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.772 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.272 0.558 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.601 ' CD1' ' NZ ' ' A' ' 33' ' ' LYS . 49.1 m-85 -127.25 140.49 52.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.645 -0.659 . . . . 0.0 109.883 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.6 pt -128.58 153.88 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -115.83 119.74 36.98 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.642 0.734 . . . . 0.0 109.219 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.17 164.72 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.486 -0.759 . . . . 0.0 109.423 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -93.41 144.19 25.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.425 -0.797 . . . . 0.0 109.516 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.8 t -123.2 133.22 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 CA-C-O 121.481 0.658 . . . . 0.0 109.347 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.0 p -139.12 163.99 30.97 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -147.99 163.64 36.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 0.0 109.82 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -68.52 147.18 52.36 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.542 -0.723 . . . . 0.0 110.319 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 25' ' ' ASN . 59.8 m80 58.93 172.8 0.07 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.438 0.637 . . . . 0.0 110.338 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' HIS . 98.9 m-20 57.95 147.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.635 0.731 . . . . 0.0 110.636 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -94.95 2.8 55.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.331 -0.855 . . . . 0.0 108.827 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 107.18 0.6 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 109.662 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -130.47 134.17 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.511 -0.743 . . . . 0.0 109.739 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.63 153.48 22.83 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.609 -0.682 . . . . 0.0 109.182 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -128.38 151.03 49.82 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.76 0.791 . . . . 0.0 110.619 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 41.29 60.9 1.94 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.294 0.568 . . . . 0.0 110.78 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.3 m -78.1 127.72 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 121.037 -1.039 . . . . 0.0 109.625 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.601 ' NZ ' ' CD1' ' A' ' 15' ' ' PHE . 65.2 tttm -88.78 116.39 27.01 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 110.08 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.9 mt -134.94 135.57 41.6 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.54 -0.725 . . . . 0.0 109.351 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 143.77 52.77 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.726 0.774 . . . . 0.0 109.987 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.63 -30.25 70.48 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.666 -0.646 . . . . 0.0 109.799 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.96 -0.67 9.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.593 -0.692 . . . . 0.0 109.962 -178.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.9 mt -75.74 136.89 40.31 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.036 -1.04 . . . . 0.0 109.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.7 p -86.44 167.89 14.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.461 -0.774 . . . . 0.0 110.279 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.24 -43.86 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.647 -0.658 . . . . 0.0 109.913 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.57 95.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.08 -1.012 . . . . 0.0 109.362 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -64.71 -37.91 89.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 0.0 109.212 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.441 HD22 HD13 ' A' ' 79' ' ' LEU . 55.2 tp -63.16 -40.17 96.76 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.324 -0.86 . . . . 0.0 109.423 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.17 -38.81 90.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.873 . . . . 0.0 109.642 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -60.05 -45.51 92.63 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.143 -0.973 . . . . 0.0 109.066 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.25 -43.2 98.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.866 . . . . 0.0 109.024 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.12 -38.84 91.93 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.476 -0.765 . . . . 0.0 109.382 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 52' ' ' GLY . 83.6 tt0 -53.43 -47.68 69.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.929 . . . . 0.0 109.429 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.43 -43.66 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.135 -0.978 . . . . 0.0 109.068 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.6 -42.11 98.27 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.499 -0.75 . . . . 0.0 110.292 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.512 ' C ' ' H ' ' A' ' 53' ' ' GLY . 59.0 p -92.18 -16.72 25.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 109.285 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.89 -8.77 0.81 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -75.4 -173.1 32.74 Favored Glycine 0 N--CA 1.492 2.413 0 O-C-N 121.278 -1.131 . . . . 0.0 110.915 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.5 t -87.64 126.07 34.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.492 -1.005 . . . . 0.0 109.957 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.69 85.19 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.535 0.683 . . . . 0.0 109.842 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.55 97.38 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 57' ' ' THR . 91.1 m -91.6 -2.18 57.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.019 -1.283 . . . . 0.0 109.215 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttm -81.98 142.47 32.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.352 -0.843 . . . . 0.0 109.752 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -128.08 143.35 51.06 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.594 -0.691 . . . . 0.0 109.15 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.541 HG11 ' SD ' ' A' ' 72' ' ' MET . 56.0 t -113.09 133.55 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 109.474 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -133.45 151.19 51.76 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.617 -0.677 . . . . 0.0 109.197 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.3 t -102.85 127.63 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.605 -0.685 . . . . 0.0 109.34 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -134.97 147.28 49.7 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.563 0.697 . . . . 0.0 109.65 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -133.0 80.41 1.89 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.08 -93.21 1.87 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 59.0 t0 -136.28 18.91 3.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.382 -1.069 . . . . 0.0 108.8 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.3 m -124.23 132.14 53.57 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 121.702 0.763 . . . . 0.0 110.266 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.1 t -80.56 134.04 35.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.602 -0.686 . . . . 0.0 110.365 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.8 t -98.2 -61.97 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.427 -0.796 . . . . 0.0 109.257 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.0 p -168.33 163.78 12.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.733 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.1 m -111.72 127.15 55.69 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.529 -0.732 . . . . 0.0 109.752 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.541 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.9 mtt -64.08 82.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.608 0.718 . . . . 0.0 110.385 -179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.9 t0 -96.98 -24.78 15.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.426 -0.796 . . . . 0.0 109.114 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -85.14 105.5 15.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.198 -0.939 . . . . 0.0 110.48 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.02 -32.91 73.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.582 -0.699 . . . . 0.0 109.22 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -74.26 -2.58 25.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.555 -0.716 . . . . 0.0 109.542 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.46 153.15 22.09 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.23 -0.919 . . . . 0.0 110.719 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -85.97 161.35 19.04 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.634 0.73 . . . . 0.0 110.664 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.441 HD13 HD22 ' A' ' 43' ' ' LEU . 38.6 tp -64.31 -42.43 96.34 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.534 -0.729 . . . . 0.0 109.535 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.93 -4.47 58.89 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -63.01 -45.77 90.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.474 -1.015 . . . . 0.0 109.533 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -104.87 -28.66 10.99 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.42 -0.8 . . . . 0.0 109.321 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.32 68.46 0.81 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.399 -0.813 . . . . 0.0 109.132 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -91.37 5.2 50.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.404 -0.81 . . . . 0.0 109.142 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 71.5 m -136.19 147.24 47.57 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.338 -0.851 . . . . 0.0 109.784 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -85.93 170.15 12.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.576 -0.702 . . . . 0.0 110.374 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.29 -3.28 86.73 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.32 159.56 30.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.21 -1.171 . . . . 0.0 110.146 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -122.37 127.41 49.71 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 121.588 0.708 . . . . 0.0 109.229 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -104.84 136.95 43.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.628 -0.67 . . . . 0.0 109.194 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -118.91 131.76 56.06 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.669 -0.645 . . . . 0.0 109.483 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.7 t -106.14 130.66 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.7 t -111.67 113.22 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -127.86 107.31 9.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.658 -0.651 . . . . 0.0 109.543 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.115 -0.945 . . . . 0.0 108.871 179.656 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.498 1.946 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -124.44 150.15 45.99 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 pt -126.27 150.73 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.581 -0.699 . . . . 0.0 109.464 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -95.75 114.23 25.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.449 -0.782 . . . . 0.0 109.159 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.36 163.27 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.466 -0.771 . . . . 0.0 109.613 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -106.16 144.89 32.21 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.86 133.33 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.481 -0.762 . . . . 0.0 108.978 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.4 p -142.77 163.09 33.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.292 -0.88 . . . . 0.0 109.492 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -132.95 155.82 48.41 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.329 -0.857 . . . . 0.0 109.634 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.533 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 40.4 m -84.61 -75.02 0.36 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.477 -0.765 . . . . 0.0 109.601 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -63.46 -44.31 94.86 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.9 . . . . 0.0 109.72 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -79.07 155.65 28.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.965 . . . . 0.0 109.847 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -108.27 19.01 20.42 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.89 112.8 17.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.126 -0.984 . . . . 0.0 108.986 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.1 t -126.12 131.56 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.542 -0.724 . . . . 0.0 109.238 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.25 130.27 56.86 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' GLU . 96.0 m-85 -99.85 145.12 28.11 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.396 -0.815 . . . . 0.0 110.485 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' PHE . 6.6 mt-10 38.69 61.36 1.21 Allowed 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.264 0.554 . . . . 0.0 109.99 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.7 p -94.25 129.99 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.092 -1.005 . . . . 0.0 109.64 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -83.61 130.44 34.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 0.0 110.037 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.2 mt -135.79 131.74 35.84 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.05 132.97 48.96 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.277 -0.89 . . . . 0.0 109.607 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -75.55 -14.98 60.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.566 -0.709 . . . . 0.0 109.462 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.14 -2.8 49.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.42 -0.8 . . . . 0.0 109.833 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.3 mt -78.93 145.79 33.85 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 110.17 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 p -84.45 169.11 14.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.403 -0.81 . . . . 0.0 110.107 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.51 HG12 ' HZ2' ' A' ' 44' ' ' LYS . 48.1 t -61.67 -44.92 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.464 -0.773 . . . . 0.0 109.349 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.71 80.67 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.273 -0.892 . . . . 0.0 109.146 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.07 -38.59 91.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.23 -0.919 . . . . 0.0 109.18 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.39 -42.08 99.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.329 -0.857 . . . . 0.0 109.547 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.51 ' HZ2' HG12 ' A' ' 40' ' ' VAL . 60.2 mttp -61.17 -39.49 90.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.132 -0.98 . . . . 0.0 109.633 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.0 m -60.01 -47.03 87.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.115 -0.991 . . . . 0.0 109.036 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -63.25 -43.13 98.9 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.266 -0.896 . . . . 0.0 109.173 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.41 -38.6 91.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.326 -0.859 . . . . 0.0 109.128 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 52' ' ' GLY . 47.1 tp10 -53.57 -45.67 70.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.506 -0.746 . . . . 0.0 109.541 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.9 mm -64.82 -47.14 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.024 -1.048 . . . . 0.0 109.91 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.71 -42.22 86.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.275 -0.891 . . . . 0.0 110.98 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.9 p -87.31 -33.44 19.21 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.886 -1.134 . . . . 0.0 109.867 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 71.92 6.55 64.09 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.465 ' O ' ' OE2' ' A' ' 48' ' ' GLU . . . -77.83 -128.18 0.42 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.458 ' O ' ' SD ' ' A' ' 58' ' ' MET . 8.4 t -135.81 123.82 22.83 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.485 -1.009 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.07 -39.48 82.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 110.172 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.96 -43.94 70.53 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.163 -1.017 . . . . 0.0 110.905 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.3 m -86.09 -1.79 57.72 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.818 -1.401 . . . . 0.0 110.145 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.458 ' SD ' ' O ' ' A' ' 54' ' ' CYS . 24.1 mtp -86.2 146.64 26.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.212 -0.93 . . . . 0.0 110.357 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -132.19 117.81 18.73 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.7 t -101.74 133.58 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.45 140.99 49.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.584 -0.698 . . . . 0.0 109.233 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -91.18 132.09 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.41 -0.806 . . . . 0.0 109.389 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.65 145.81 51.05 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.905 0.859 . . . . 0.0 109.977 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -143.47 90.9 2.2 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.54 -129.06 13.6 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.2 p30 -97.03 10.59 38.84 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.237 -1.154 . . . . 0.0 110.201 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.1 m -125.35 130.84 52.74 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.354 -0.841 . . . . 0.0 109.639 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 p -86.67 123.86 32.31 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.332 -0.855 . . . . 0.0 109.557 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' SER . 69.4 t -64.46 -46.3 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.188 -0.945 . . . . 0.0 109.658 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 163.9 171.85 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.487 -0.758 . . . . 0.0 109.068 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.6 m -108.93 135.75 49.61 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.462 -0.774 . . . . 0.0 109.207 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.3 mtt -75.72 124.1 26.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.35 -0.844 . . . . 0.0 109.53 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -140.12 -27.95 0.74 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.544 -0.722 . . . . 0.0 109.976 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -87.91 110.34 20.47 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.091 -1.006 . . . . 0.0 110.317 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 54.4 t-20 -64.98 -36.17 83.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.457 -0.777 . . . . 0.0 109.443 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.92 -1.01 1.75 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.254 -0.904 . . . . 0.0 109.636 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.97 148.73 21.76 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.225 -0.922 . . . . 0.0 109.589 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -89.13 161.36 16.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.314 -0.866 . . . . 0.0 110.188 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.35 -41.86 98.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.445 -0.785 . . . . 0.0 109.524 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.12 -4.62 56.45 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -62.11 -45.77 92.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.247 -1.149 . . . . 0.0 109.124 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -105.09 -28.59 10.93 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.47 -0.769 . . . . 0.0 109.591 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.63 72.9 0.93 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.454 -0.779 . . . . 0.0 109.455 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.5 p30 -101.84 12.13 37.52 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.4 -0.812 . . . . 0.0 109.386 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.1 t -138.12 147.45 43.97 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.453 -0.779 . . . . 0.0 109.514 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -82.58 166.54 19.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.838 . . . . 0.0 110.132 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.88 -1.98 83.81 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.5 mt -76.93 155.58 32.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.309 -1.112 . . . . 0.0 109.489 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -123.07 134.18 54.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.564 -0.71 . . . . 0.0 109.449 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.4 mt -105.28 127.62 53.04 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.533 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 79.3 t60 -114.06 117.82 32.35 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.618 -0.676 . . . . 0.0 109.64 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -87.19 124.42 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.8 t -111.13 109.95 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.587 -0.696 . . . . 0.0 109.188 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -99.49 112.58 24.76 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.539 -0.726 . . . . 0.0 109.489 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.488 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.195 0.521 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -141.08 146.88 37.7 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.439 -0.788 . . . . 0.0 109.485 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.0 pt -138.04 160.73 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.469 -0.769 . . . . 0.0 109.485 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -109.58 122.23 46.97 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -136.87 161.91 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.443 -0.785 . . . . 0.0 109.289 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -102.7 144.77 30.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.685 . . . . 0.0 109.433 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.9 t -121.23 131.42 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.8 t -135.47 149.42 49.55 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.516 HD22 HG22 ' A' ' 51' ' ' THR . 40.0 p30 -133.85 151.88 51.68 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.279 -0.888 . . . . 0.0 109.565 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 25' ' ' ASN . 16.8 p -77.22 168.85 19.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.629 -0.669 . . . . 0.0 110.116 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.9 m80 57.91 -70.79 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 121.205 0.526 . . . . 0.0 110.587 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 23' ' ' SER . 99.8 m-20 -62.04 143.44 56.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.276 -0.89 . . . . 0.0 110.47 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -94.11 3.81 54.77 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.483 -0.761 . . . . 0.0 109.05 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.32 116.3 12.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -0.779 . . . . 0.0 109.768 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.24 133.55 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.47 137.69 44.01 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -114.0 147.11 39.18 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.493 -0.755 . . . . 0.0 110.816 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 43.7 68.56 0.51 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.719 -0.613 . . . . 0.0 110.778 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.508 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.1 p -94.91 123.41 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -83.79 118.18 23.76 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.155 -0.965 . . . . 0.0 109.83 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.2 mt -135.23 134.31 39.91 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.531 -0.731 . . . . 0.0 109.222 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 141.35 53.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.42 -0.8 . . . . 0.0 109.653 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -70.8 -14.7 62.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.47 -0.769 . . . . 0.0 109.929 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -80.87 -0.36 38.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.487 -0.758 . . . . 0.0 109.944 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.42 143.73 38.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.173 -0.954 . . . . 0.0 109.997 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.6 p -86.15 165.47 16.54 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.615 0.722 . . . . 0.0 110.161 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.86 -43.78 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.679 -0.638 . . . . 0.0 109.35 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.63 89.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.469 -0.77 . . . . 0.0 109.506 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -64.11 -37.21 86.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.321 -0.862 . . . . 0.0 109.093 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.27 -41.06 98.15 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.48 -37.65 81.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.407 -0.808 . . . . 0.0 109.261 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.5 m -59.62 -47.71 84.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.341 -0.849 . . . . 0.0 109.284 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.88 -43.41 98.87 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.426 -0.796 . . . . 0.0 109.065 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.18 -39.6 94.34 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.1 tt0 -50.79 -49.58 58.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.392 -0.817 . . . . 0.0 109.011 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.39 -43.31 94.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.362 -0.836 . . . . 0.0 109.845 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -62.49 -45.26 93.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.379 -0.826 . . . . 0.0 110.253 -178.571 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.516 HG22 HD22 ' A' ' 22' ' ' ASN . 34.2 p -93.78 -14.33 26.34 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.84 -1.162 . . . . 0.0 109.648 -179.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.62 -6.37 1.34 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -72.48 -178.32 32.61 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.6 t -86.71 126.17 34.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.556 -0.967 . . . . 0.0 110.008 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.39 -35.68 81.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.534 -0.729 . . . . 0.0 109.989 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.16 -35.23 91.22 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.3 p -97.76 1.05 47.99 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.201 -1.176 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.0 ttm -81.71 141.16 33.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.81 . . . . 0.0 109.909 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -125.01 144.08 50.57 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.469 HG11 ' SD ' ' A' ' 72' ' ' MET . 52.0 t -115.39 131.41 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -131.98 130.01 40.91 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.23 133.3 30.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 109.514 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -126.66 137.02 53.23 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.526 0.679 . . . . 0.0 109.331 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -131.35 89.6 2.74 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.64 -108.41 3.6 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -121.69 -4.54 9.21 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.67 -0.9 . . . . 0.0 109.981 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.3 m -121.69 140.2 52.6 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.527 -0.733 . . . . 0.0 110.564 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -75.02 147.06 41.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.74 -0.6 . . . . 0.0 109.442 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 ' N ' ' A' ' 70' ' ' SER . 35.0 m -106.87 -45.3 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.531 -0.731 . . . . 0.0 109.729 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.546 ' N ' HG23 ' A' ' 69' ' ' VAL . 92.0 p -162.79 162.54 26.65 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.138 -0.976 . . . . 0.0 109.824 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ASP . 90.3 m -117.2 130.4 56.56 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.469 ' SD ' HG11 ' A' ' 60' ' ' VAL . 67.1 mtt -62.7 69.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.44 -0.787 . . . . 0.0 110.403 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' THR . 99.7 m-20 -64.66 -39.4 93.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.495 -0.753 . . . . 0.0 109.633 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -86.08 112.35 21.19 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.426 -0.796 . . . . 0.0 109.888 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 55.4 p30 -74.73 -14.15 60.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.422 -0.799 . . . . 0.0 109.689 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 94.7 m-20 -89.31 -1.97 58.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.354 -0.841 . . . . 0.0 109.534 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.63 156.16 32.91 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.327 -0.858 . . . . 0.0 110.033 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -85.64 162.14 18.95 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.56 -0.712 . . . . 0.0 110.287 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.1 -42.36 99.57 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.647 -0.658 . . . . 0.0 109.948 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.24 -5.03 75.44 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -62.86 -44.33 96.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -1.182 . . . . 0.0 109.205 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -101.85 -45.54 5.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.403 -0.811 . . . . 0.0 109.792 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.89 86.44 5.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.24 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER -102.15 8.58 40.63 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.5 t -135.98 146.92 47.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.465 -0.772 . . . . 0.0 109.353 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -81.14 166.81 20.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.495 -0.753 . . . . 0.0 110.611 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.56 -8.13 80.28 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.0 mt -78.06 158.59 29.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.461 -1.023 . . . . 0.0 109.679 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -130.66 143.89 51.05 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -107.72 126.12 52.22 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.549 -0.719 . . . . 0.0 109.285 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -98.08 128.09 44.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.468 -0.77 . . . . 0.0 109.366 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.4 131.06 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.487 -0.758 . . . . 0.0 108.991 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.8 t -115.16 130.08 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.606 -0.684 . . . . 0.0 109.22 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -126.15 108.05 10.96 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 121.392 0.615 . . . . 0.0 109.553 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.169 179.687 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.2 t0 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.061 0.458 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -112.65 144.21 42.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.496 -0.753 . . . . 0.0 109.363 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.3 pt -125.57 155.05 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.526 -0.734 . . . . 0.0 109.585 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -105.4 117.52 34.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.505 -0.747 . . . . 0.0 109.51 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -136.48 163.61 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.44 -0.787 . . . . 0.0 109.096 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -101.39 144.61 29.99 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.526 -0.734 . . . . 0.0 109.287 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.48 135.5 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 121.34 -0.85 . . . . 0.0 109.081 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.8 t -134.55 175.28 9.68 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 27' ' ' ALA . 2.4 p30 -146.64 162.06 39.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.191 -0.943 . . . . 0.0 109.568 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -88.74 -76.72 0.39 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.56 -0.713 . . . . 0.0 110.51 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -60.64 -47.21 87.23 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.336 -0.852 . . . . 0.0 110.362 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 60.2 t-20 -75.41 144.61 42.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 0.0 110.433 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 52.0 t0 -97.3 1.95 50.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.357 -0.839 . . . . 0.0 109.266 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.507 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . -69.79 130.74 43.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.368 -0.833 . . . . 0.0 109.84 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.22 134.61 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.388 -0.82 . . . . 0.0 109.804 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.38 140.26 44.77 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -117.29 146.79 43.09 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.519 -0.738 . . . . 0.0 110.468 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 40.08 67.65 0.46 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.825 -0.547 . . . . 0.0 110.264 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.3 p -100.41 123.87 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.575 -0.703 . . . . 0.0 109.412 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -78.13 131.01 37.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.267 -0.896 . . . . 0.0 110.361 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.5 mt -138.86 125.13 20.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.371 -0.83 . . . . 0.0 108.94 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.479 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -64.35 138.82 58.62 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.379 -0.826 . . . . 0.0 109.593 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -75.94 -15.03 60.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.605 -0.684 . . . . 0.0 109.491 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -80.91 0.31 35.85 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.397 -0.815 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.479 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 88.5 mt -76.58 144.08 39.86 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.261 -0.899 . . . . 0.0 110.655 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.1 p -88.15 164.71 15.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.541 -0.724 . . . . 0.0 109.952 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.78 -44.55 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.451 -0.78 . . . . 0.0 110.033 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.48 94.44 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.125 -0.984 . . . . 0.0 109.863 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.97 -36.45 83.36 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.328 -0.857 . . . . 0.0 109.164 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.64 -41.57 99.11 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.489 -0.757 . . . . 0.0 109.263 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.18 -40.31 95.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.397 -0.815 . . . . 0.0 109.803 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.8 m -61.04 -46.41 90.8 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.132 -0.98 . . . . 0.0 109.885 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -62.92 -46.75 86.33 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.183 -0.948 . . . . 0.0 109.4 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.71 -38.55 91.38 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.422 -0.799 . . . . 0.0 109.195 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' GLY . 38.2 tt0 -51.15 -51.12 56.65 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.343 -0.848 . . . . 0.0 109.648 -179.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.46 -42.67 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.347 -0.845 . . . . 0.0 110.227 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.44 -41.61 98.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.117 -0.99 . . . . 0.0 110.201 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.488 ' C ' ' H ' ' A' ' 53' ' ' GLY . 16.1 p -91.93 -12.6 32.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.984 -1.072 . . . . 0.0 108.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.42 -8.48 1.51 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -71.03 176.4 37.12 Favored Glycine 0 N--CA 1.492 2.378 0 O-C-N 121.345 -1.091 . . . . 0.0 110.553 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.94 126.19 34.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.545 -0.973 . . . . 0.0 109.36 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.91 72.52 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.347 -0.846 . . . . 0.0 110.157 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.37 -35.54 91.56 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.6 p -98.72 -10.71 22.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.281 -1.129 . . . . 0.0 109.652 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.2 ttp -86.9 128.77 35.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.148 -0.97 . . . . 0.0 109.523 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -113.9 150.6 33.43 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.573 -0.704 . . . . 0.0 109.466 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.1 t -115.23 132.89 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -134.27 147.0 50.57 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.7 132.77 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.272 -0.893 . . . . 0.0 109.423 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -127.02 138.62 53.27 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.777 0.799 . . . . 0.0 109.781 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -141.36 101.34 3.98 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.03 -102.4 2.39 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -131.42 -3.6 3.81 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.514 -0.992 . . . . 0.0 109.585 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.0 m -116.41 139.36 50.51 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.571 -0.706 . . . . 0.0 110.59 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.75 120.35 21.8 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.442 -0.786 . . . . 0.0 109.778 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.08 -48.74 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.11 -0.994 . . . . 0.0 109.687 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.6 p -173.77 164.28 4.31 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.414 -0.804 . . . . 0.0 109.412 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.7 m -113.38 126.55 55.48 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.53 -0.732 . . . . 0.0 109.072 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.8 mtt -63.84 83.96 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.238 -0.914 . . . . 0.0 110.056 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 47.4 t0 -95.78 -24.2 16.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.328 -0.857 . . . . 0.0 109.542 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.03 112.73 21.51 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.27 -0.894 . . . . 0.0 110.384 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -74.84 -18.86 60.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.373 -0.829 . . . . 0.0 109.758 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -91.01 -1.83 57.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.322 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.81 152.31 24.69 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.352 -0.842 . . . . 0.0 110.25 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -89.88 159.98 16.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 0.0 109.99 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.03 -42.04 99.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.407 -0.808 . . . . 0.0 110.303 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.23 -21.97 68.71 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 120.25 -0.976 . . . . 0.0 111.223 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.62 -49.08 78.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.871 -1.37 . . . . 0.0 110.4 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -83.08 -44.01 15.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.153 -0.967 . . . . 0.0 110.304 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.24 138.84 36.75 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.302 -0.874 . . . . 0.0 109.95 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -155.28 22.6 0.42 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.6 t -151.56 148.65 28.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.287 -0.883 . . . . 0.0 109.767 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.1 p30 -84.25 162.2 20.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.256 -0.903 . . . . 0.0 110.232 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.86 -4.1 78.28 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.29 153.82 37.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.369 -1.077 . . . . 0.0 109.72 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -124.3 129.84 51.46 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.701 -0.625 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.3 mt -104.2 125.37 50.44 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.45 -0.781 . . . . 0.0 109.016 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -100.98 129.27 46.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.334 -0.853 . . . . 0.0 109.341 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.9 t -103.76 128.11 57.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.473 -0.767 . . . . 0.0 109.097 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.0 t -106.25 109.91 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -97.8 110.46 23.02 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.261 -0.9 . . . . 0.0 110.171 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 117.849 -1.072 . . . . 0.0 108.709 179.689 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 t0 . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 35' ' ' ALA . 88.2 m-85 -126.78 140.89 52.03 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.451 HD11 ' HZ3' ' A' ' 36' ' ' LYS . 41.9 pt -132.25 164.46 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.617 -0.677 . . . . 0.0 109.872 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 52.8 mtmt -101.33 123.92 46.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.551 -0.718 . . . . 0.0 109.787 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -138.89 161.91 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.635 -0.666 . . . . 0.0 109.269 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -101.73 140.65 35.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.565 -0.709 . . . . 0.0 109.114 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.0 t -126.31 132.52 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-O 121.42 0.628 . . . . 0.0 109.372 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 m -130.68 154.74 47.61 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -136.53 140.85 43.28 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.812 0.815 . . . . 0.0 109.84 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 25' ' ' ASN . 29.2 t -72.35 161.73 30.44 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.355 0.598 . . . . 0.0 110.559 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 94' ' ' ASP . 36.2 m-70 65.64 -65.37 0.17 Allowed 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.15 0.5 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 23' ' ' SER . 63.7 t-20 -66.2 140.29 58.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.278 -0.889 . . . . 0.0 110.37 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 96.1 m-20 -89.5 -3.05 58.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.478 -0.764 . . . . 0.0 109.14 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.86 130.11 40.25 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.254 -0.904 . . . . 0.0 109.227 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.3 t -134.85 134.99 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.434 -0.791 . . . . 0.0 109.524 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.57 146.41 29.67 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.644 -0.66 . . . . 0.0 109.232 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -130.36 150.17 51.71 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.653 0.74 . . . . 0.0 110.42 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 43.28 49.33 5.84 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.358 0.599 . . . . 0.0 110.17 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 32' ' ' VAL . 11.1 p -85.66 122.17 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.278 -0.889 . . . . 0.0 109.271 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -76.71 127.22 32.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.262 -0.899 . . . . 0.0 109.994 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -134.72 133.05 39.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.577 -0.702 . . . . 0.0 109.431 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.527 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -70.72 139.01 51.02 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.713 0.768 . . . . 0.0 110.04 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' HZ3' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -76.75 -16.76 59.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.619 -0.675 . . . . 0.0 109.983 -179.799 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -81.77 -1.62 47.84 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.339 -0.851 . . . . 0.0 109.447 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.527 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 90.4 mt -77.72 144.22 37.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.145 -0.972 . . . . 0.0 110.392 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 p -85.13 170.16 13.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.51 -0.744 . . . . 0.0 110.082 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.06 -43.45 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.94 81.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.376 -0.828 . . . . 0.0 109.522 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -66.24 -39.05 89.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.314 -0.866 . . . . 0.0 109.122 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.7 tp -62.55 -42.4 99.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.467 -0.771 . . . . 0.0 109.429 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.68 -37.71 85.1 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.478 -0.764 . . . . 0.0 109.417 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.0 m -61.04 -46.78 89.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.342 -0.849 . . . . 0.0 109.369 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.27 -43.43 94.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 108.982 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 99.9 mt -64.93 -38.12 89.9 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.563 -0.711 . . . . 0.0 109.099 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 52' ' ' GLY . 42.0 tt0 -54.14 -47.94 71.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.54 -0.725 . . . . 0.0 109.38 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.87 -43.24 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.319 -0.863 . . . . 0.0 109.491 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.7 mt -63.31 -41.4 98.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.498 -0.751 . . . . 0.0 110.36 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.511 ' C ' ' H ' ' A' ' 53' ' ' GLY . 12.1 p -93.81 -14.15 26.5 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.105 -0.997 . . . . 0.0 109.205 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 64.41 -5.21 1.11 Allowed Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -76.77 -174.91 40.45 Favored Glycine 0 N--CA 1.489 2.192 0 O-C-N 121.324 -1.104 . . . . 0.0 110.722 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -89.61 127.2 35.87 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.557 -0.967 . . . . 0.0 109.374 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' HB2' ' OE1' ' A' ' 48' ' ' GLU . . . -63.39 -34.37 77.58 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.608 -0.683 . . . . 0.0 109.868 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.97 -36.27 93.06 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.3 p -96.9 -10.35 26.61 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.973 -1.31 . . . . 0.0 109.505 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttp -86.73 126.94 34.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.195 -0.941 . . . . 0.0 109.934 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -108.58 149.01 29.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.548 -0.72 . . . . 0.0 109.583 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.65 132.32 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -130.77 138.2 49.82 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.5 t -90.51 132.66 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.548 -0.72 . . . . 0.0 109.583 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -124.81 146.55 49.19 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.954 0.883 . . . . 0.0 109.772 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -147.25 99.24 3.12 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.13 -130.77 22.15 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 36.3 p-10 -99.53 10.95 40.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.48 -1.012 . . . . 0.0 109.202 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -127.27 133.81 50.13 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.549 -0.719 . . . . 0.0 110.02 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 m -83.67 128.04 34.23 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.434 -0.791 . . . . 0.0 110.206 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' SER . 93.8 t -66.7 -44.32 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.524 -0.735 . . . . 0.0 109.327 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.5 m 164.2 171.61 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.476 -0.765 . . . . 0.0 109.712 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.7 m -111.93 130.7 55.75 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.459 0.647 . . . . 0.0 109.396 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -66.34 105.74 1.52 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 110.253 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -111.96 -29.56 7.59 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -87.88 107.91 18.91 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.309 -0.869 . . . . 0.0 110.023 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.04 -35.09 77.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.695 -0.628 . . . . 0.0 110.002 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -73.45 -1.01 16.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.285 -0.884 . . . . 0.0 110.018 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.02 157.27 20.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.099 -1.001 . . . . 0.0 110.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -86.09 157.97 19.92 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.677 0.751 . . . . 0.0 110.665 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.75 -41.9 99.42 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.702 -0.624 . . . . 0.0 109.689 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.91 -3.66 30.2 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -63.58 -44.09 95.07 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.207 -1.172 . . . . 0.0 109.219 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.93 -28.13 11.29 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.61 74.51 1.08 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.604 -0.685 . . . . 0.0 109.332 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -103.44 11.07 36.92 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.2 t -135.78 145.81 46.93 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.493 -0.755 . . . . 0.0 109.848 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 17' ' ' LYS . 29.0 t70 -83.27 158.56 22.2 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.53 0.681 . . . . 0.0 110.782 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.71 9.39 71.78 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.9 mt -79.23 155.33 28.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.405 -1.056 . . . . 0.0 110.438 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -120.44 128.64 53.36 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.1 mt -106.21 127.97 53.6 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -105.02 113.46 27.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.619 -0.676 . . . . 0.0 109.327 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.9 t -89.81 129.37 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.374 -0.829 . . . . 0.0 109.23 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.21 102.94 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.65 -0.656 . . . . 0.0 109.506 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.409 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 55.0 t0 -98.95 112.34 24.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.469 -0.769 . . . . 0.0 109.699 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 118.103 -0.951 . . . . 0.0 108.792 179.683 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.513 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -124.58 159.55 30.43 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.831 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.0 pt -125.1 159.84 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.58 -0.7 . . . . 0.0 109.502 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -95.91 117.99 31.67 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.467 -0.77 . . . . 0.0 109.192 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -141.42 163.72 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.374 -0.829 . . . . 0.0 109.732 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -109.08 148.43 30.84 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.6 t -122.36 131.99 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.339 -0.851 . . . . 0.0 108.971 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.7 m -131.34 158.06 41.7 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 23' ' ' SER . 58.3 t-20 -132.86 132.23 41.87 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.479 -0.763 . . . . 0.0 109.535 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 11.4 t -62.07 -42.96 99.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.618 -0.676 . . . . 0.0 109.757 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.532 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 42.2 m80 -74.87 -98.31 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.281 -0.887 . . . . 0.0 110.874 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.69 ' C ' HD21 ' A' ' 25' ' ' ASN . 0.2 OUTLIER -55.85 156.71 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 110.22 -178.536 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 34.5 p-10 -89.47 4.74 48.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.543 -0.723 . . . . 0.0 109.266 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.23 111.43 0.96 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.279 -0.888 . . . . 0.0 109.154 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.7 t -124.94 132.42 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.547 -0.721 . . . . 0.0 109.29 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.92 136.85 41.99 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -113.07 134.83 54.35 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.517 -0.739 . . . . 0.0 110.123 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 54.4 50.9 15.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.664 -0.647 . . . . 0.0 110.741 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 32' ' ' VAL . 8.5 p -91.82 122.55 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.058 -1.026 . . . . 0.0 108.466 178.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -90.36 137.67 32.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.16 -0.963 . . . . 0.0 110.002 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.2 mt -136.45 143.33 43.82 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.434 -0.791 . . . . 0.0 109.406 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.5 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -72.73 132.46 43.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 0.0 109.597 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' A' ' 38' ' ' LEU . 54.0 mtmt -65.32 -38.53 90.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.4 -0.812 . . . . 0.0 110.22 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -61.33 1.22 0.21 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.473 -0.767 . . . . 0.0 110.269 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.5 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 98.7 mt -76.88 142.8 40.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.124 -0.985 . . . . 0.0 109.555 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.4 p -84.88 164.14 18.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.357 -0.84 . . . . 0.0 110.114 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.97 -43.8 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.627 -0.67 . . . . 0.0 109.642 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.53 94.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.0 109.553 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.6 -37.2 85.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.157 -0.965 . . . . 0.0 109.106 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.485 HD22 HD13 ' A' ' 79' ' ' LEU . 47.0 tp -62.24 -42.15 99.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.316 -0.865 . . . . 0.0 109.303 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.19 -39.53 90.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.261 -0.899 . . . . 0.0 109.312 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -60.76 -46.57 89.93 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.404 -0.81 . . . . 0.0 109.592 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.78 -44.04 94.55 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.223 -0.923 . . . . 0.0 109.241 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.97 -39.8 94.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.323 -0.861 . . . . 0.0 108.933 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.6 tt0 -49.72 -49.2 48.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.413 -0.804 . . . . 0.0 109.028 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.58 -43.35 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 109.313 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.74 -42.65 99.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.347 -0.846 . . . . 0.0 110.366 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.8 p -93.78 -15.08 25.5 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.911 -1.118 . . . . 0.0 109.908 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.25 7.52 39.0 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.82 -162.06 34.67 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -102.3 128.53 48.81 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.464 -1.021 . . . . 0.0 109.909 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.27 83.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.379 -0.826 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.75 93.16 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.3 p -96.86 6.04 49.41 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.089 -1.242 . . . . 0.0 108.951 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 53.4 ttm -82.18 137.51 34.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.414 -0.804 . . . . 0.0 110.095 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -129.7 143.23 50.72 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.522 HG11 ' SD ' ' A' ' 72' ' ' MET . 50.7 t -115.15 132.35 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -130.06 127.23 39.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.588 -0.695 . . . . 0.0 109.402 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.79 131.6 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.452 -0.78 . . . . 0.0 109.751 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -128.96 144.73 51.27 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 121.554 0.692 . . . . 0.0 109.749 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -146.31 80.72 1.57 Allowed 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.57 -133.38 11.7 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -96.54 5.41 50.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.261 -1.14 . . . . 0.0 109.932 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.7 m -125.34 135.71 52.73 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.452 -0.78 . . . . 0.0 110.037 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -79.01 132.52 36.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.454 -0.779 . . . . 0.0 109.809 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -74.14 -54.62 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.141 -0.974 . . . . 0.0 109.634 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 p -173.64 166.55 4.56 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.362 -0.836 . . . . 0.0 109.437 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 85.9 m -114.13 130.36 56.59 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.522 -0.736 . . . . 0.0 109.25 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.522 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.2 mtt -70.89 85.88 0.69 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 0.0 109.657 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.6 t0 -94.5 -23.48 17.68 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.475 -0.766 . . . . 0.0 109.628 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 77' ' ' ALA . 25.0 t-20 -91.87 106.74 18.7 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.147 -0.971 . . . . 0.0 110.211 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -69.5 -25.23 63.95 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.339 -0.85 . . . . 0.0 109.308 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -79.07 -2.61 41.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.41 -0.806 . . . . 0.0 109.793 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 74' ' ' ASN . . . -87.01 155.64 20.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.202 -0.937 . . . . 0.0 109.996 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -83.06 160.42 21.94 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.288 -0.882 . . . . 0.0 110.088 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.485 HD13 HD22 ' A' ' 43' ' ' LEU . 42.1 tp -62.66 -43.12 99.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.369 -0.832 . . . . 0.0 109.513 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.49 -3.49 58.27 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -61.77 -44.64 96.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -1.172 . . . . 0.0 109.06 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -103.79 -27.09 12.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.427 -0.796 . . . . 0.0 109.265 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.84 96.46 9.35 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.351 -0.843 . . . . 0.0 109.635 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -134.37 68.73 1.47 Allowed 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.4 t -172.69 -129.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 50.2 p-10 -172.74 142.66 1.19 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.247 -0.908 . . . . 0.0 109.507 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.54 15.76 67.77 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.09 155.75 36.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.294 -1.121 . . . . 0.0 109.696 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -115.01 124.57 51.99 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -106.06 129.52 54.15 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.083 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -110.28 121.36 45.09 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 74.9 t -94.95 131.55 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.44 -0.788 . . . . 0.0 108.977 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.6 t -125.12 116.35 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.627 -0.67 . . . . 0.0 109.232 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.532 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 41.4 p-10 -109.55 129.4 55.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.571 -0.706 . . . . 0.0 109.433 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.477 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.295 0.569 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.24 109.68 1.2 Allowed Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -85.54 -12.44 51.65 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.262 -1.14 . . . . 0.0 109.223 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -146.59 150.21 35.05 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.364 -0.835 . . . . 0.0 109.539 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -149.86 166.53 29.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.312 -0.867 . . . . 0.0 109.494 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -106.51 153.82 21.75 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.496 -0.752 . . . . 0.0 109.511 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -75.0 154.66 37.97 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.462 -0.774 . . . . 0.0 110.295 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -74.02 -8.92 57.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.551 -0.718 . . . . 0.0 109.182 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 t 61.83 29.84 18.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.51 -0.744 . . . . 0.0 109.373 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.96 -41.93 97.29 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.366 -0.834 . . . . 0.0 109.149 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.14 -108.18 2.09 Favored Glycine 0 N--CA 1.498 2.799 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.43 133.09 49.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.443 -1.033 . . . . 0.0 110.572 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 p -151.94 37.73 0.57 Allowed 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 50.7 p-10 -86.54 84.88 7.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.35 -0.844 . . . . 0.0 109.626 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -136.55 151.09 49.02 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.4 pt -125.97 149.63 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -99.84 118.77 37.0 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.427 -0.795 . . . . 0.0 109.374 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.4 m -139.2 164.13 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.557 -0.714 . . . . 0.0 109.455 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -101.07 139.76 36.31 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.0 131.38 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.3 t -134.99 148.5 49.99 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -111.99 147.05 36.76 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.533 0.683 . . . . 0.0 109.877 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 t -79.87 -74.91 0.28 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.515 -0.74 . . . . 0.0 110.301 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -77.96 53.62 1.19 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.352 -0.842 . . . . 0.0 110.644 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 61.7 t-20 -172.16 140.22 1.15 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.197 -0.939 . . . . 0.0 109.51 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.513 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 35.5 p-10 -85.8 1.1 51.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.338 -0.851 . . . . 0.0 109.583 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.78 122.18 25.72 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.329 -0.857 . . . . 0.0 109.503 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.424 HG11 ' CZ ' ' A' ' 30' ' ' PHE . 95.5 t -131.65 133.88 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.559 -0.713 . . . . 0.0 109.22 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.52 126.42 52.9 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CZ ' HG11 ' A' ' 28' ' ' VAL . 60.6 m-85 -110.77 146.22 36.73 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.542 -0.724 . . . . 0.0 110.269 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 53.82 57.76 5.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.716 -0.615 . . . . 0.0 109.895 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 32' ' ' VAL . 9.8 p -102.06 123.25 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.31 -0.869 . . . . 0.0 108.897 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -94.14 136.74 34.1 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.246 -0.909 . . . . 0.0 109.546 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.7 mt -134.67 141.41 46.55 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.443 -0.786 . . . . 0.0 109.373 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.458 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -68.77 141.7 55.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.496 -0.752 . . . . 0.0 109.512 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -75.53 -16.26 60.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.422 -0.799 . . . . 0.0 109.854 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -80.81 -0.79 40.35 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.474 -0.766 . . . . 0.0 109.567 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 90.4 mt -76.75 142.29 40.47 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.213 -0.929 . . . . 0.0 109.841 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.1 p -87.48 167.47 13.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.543 -0.723 . . . . 0.0 109.809 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.569 ' CG1' ' NZ ' ' A' ' 44' ' ' LYS . 53.5 t -63.78 -44.44 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.525 -0.734 . . . . 0.0 109.297 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.21 87.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -0.923 . . . . 0.0 108.849 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' OG1' ' A' ' 45' ' ' THR . 95.9 mm-40 -65.15 -39.46 93.01 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.213 -0.93 . . . . 0.0 108.768 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.28 -43.38 98.09 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.156 -0.965 . . . . 0.0 109.223 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.569 ' NZ ' ' CG1' ' A' ' 40' ' ' VAL . 59.0 mttp -62.52 -40.72 97.66 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.289 -0.882 . . . . 0.0 109.717 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 19.2 p -63.24 -44.58 94.81 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.12 -0.987 . . . . 0.0 109.444 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.84 -46.09 86.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.227 -0.921 . . . . 0.0 109.371 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.0 -38.27 85.68 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 0.0 109.524 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 52' ' ' GLY . 83.3 tt0 -52.27 -47.9 65.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.895 . . . . 0.0 109.099 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.63 -43.63 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.0 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.1 -41.76 99.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.532 -0.73 . . . . 0.0 110.242 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.2 p -92.76 -16.95 24.79 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.949 -1.094 . . . . 0.0 109.764 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.66 5.12 36.05 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.04 -170.42 35.95 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 37.3 m -100.31 119.36 38.29 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.491 -1.005 . . . . 0.0 109.535 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.64 67.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.378 -0.826 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.59 -13.67 83.24 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.8 p -123.51 -3.83 8.31 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.441 -1.035 . . . . 0.0 109.103 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.8 ttp -89.57 128.28 36.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.395 -0.816 . . . . 0.0 109.905 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -114.57 148.64 37.73 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.6 t -118.35 132.01 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -130.83 145.5 52.0 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.4 t -93.79 131.0 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.537 -0.727 . . . . 0.0 109.448 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -126.59 137.66 53.36 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.573 0.701 . . . . 0.0 109.896 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -138.36 80.76 1.81 Allowed 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.99 -130.72 10.42 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 34.8 p-10 -98.69 6.87 46.69 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.364 -1.08 . . . . 0.0 110.038 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.9 m -126.31 132.77 51.56 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.487 -0.758 . . . . 0.0 109.84 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -80.43 130.69 35.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.396 -0.815 . . . . 0.0 109.686 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.1 t -72.57 -53.15 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.154 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.2 t -174.28 166.75 4.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.394 -0.816 . . . . 0.0 109.596 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.3 m -115.99 128.44 55.74 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.2 90.01 0.09 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.848 . . . . 0.0 109.997 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 40.1 p-10 -95.79 -29.77 14.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.442 -0.787 . . . . 0.0 109.816 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.518 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 13.7 t-20 -89.67 108.45 19.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.259 -0.9 . . . . 0.0 109.831 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.488 ' C ' ' H ' ' A' ' 77' ' ' ALA . 99.0 m-20 -63.86 -38.57 91.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.471 -0.768 . . . . 0.0 109.797 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.22 18.28 0.05 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.412 -0.805 . . . . 0.0 110.131 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 75' ' ' ASN . . . -99.49 149.65 23.0 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.271 -0.893 . . . . 0.0 109.847 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -86.44 159.52 19.31 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.441 -0.787 . . . . 0.0 110.325 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.82 -42.56 99.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.512 -0.742 . . . . 0.0 109.901 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.59 -6.47 62.63 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -63.01 -45.68 91.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.325 -1.103 . . . . 0.0 109.221 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -104.69 -27.62 11.7 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.519 -0.738 . . . . 0.0 109.514 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.21 63.94 0.91 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.388 -0.82 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -90.7 7.32 40.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.383 -0.823 . . . . 0.0 109.344 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.7 t -137.74 145.04 41.99 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.478 -0.764 . . . . 0.0 109.446 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -84.42 170.88 13.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.504 -0.748 . . . . 0.0 110.299 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.96 3.49 90.45 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -78.22 155.69 30.19 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.382 -1.069 . . . . 0.0 109.765 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -119.07 126.24 51.21 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -106.56 131.21 53.99 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -114.25 123.97 50.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.674 -0.641 . . . . 0.0 109.329 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.7 t -92.2 126.48 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 87.5 t -107.96 110.69 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.66 -0.65 . . . . 0.0 109.371 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -98.37 110.96 23.46 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.497 -0.752 . . . . 0.0 109.721 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.675 179.783 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 1' ' ' MET . 6.2 tmm? . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.23 -99.15 0.14 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' C ' ' H ' ' A' ' 5' ' ' HIS . 72.6 m80 -61.52 -41.08 96.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.403 -1.057 . . . . 0.0 110.164 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 57.94 2.71 0.19 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.373 -0.829 . . . . 0.0 109.595 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.476 ' H ' ' C ' ' A' ' 3' ' ' HIS . 50.6 m80 -89.92 118.82 29.77 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.137 -0.977 . . . . 0.0 109.737 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' CE1' ' NE2' ' A' ' 7' ' ' HIS . 51.3 p-80 -82.97 -20.9 34.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.283 -0.886 . . . . 0.0 109.133 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.411 ' NE2' ' CE1' ' A' ' 6' ' ' HIS . 98.9 m-70 -57.48 -78.42 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.414 -0.804 . . . . 0.0 109.664 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -168.0 121.06 0.89 Allowed 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.314 -0.866 . . . . 0.0 109.708 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.0 p -159.23 5.61 0.1 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -81.12 127.26 32.44 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.526 -0.734 . . . . 0.0 109.437 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.36 144.69 21.7 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.951 -1.259 . . . . 0.0 109.951 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -69.01 133.25 47.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.294 -1.121 . . . . 0.0 109.69 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.0 t -76.14 144.45 40.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.463 -0.773 . . . . 0.0 110.11 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -134.73 31.82 3.32 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.504 -0.748 . . . . 0.0 109.095 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -110.89 145.38 38.38 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.518 -0.739 . . . . 0.0 109.237 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.3 pt -129.47 143.8 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.582 -0.699 . . . . 0.0 109.26 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -96.26 131.72 42.46 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.6 m -146.54 166.73 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 109.193 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -97.83 143.16 28.73 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.262 -0.898 . . . . 0.0 109.2 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.5 t -124.88 135.45 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.2 p -132.38 156.39 46.74 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.475 -0.765 . . . . 0.0 109.312 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -147.83 137.22 22.37 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.249 -0.907 . . . . 0.0 109.118 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' HIS . 89.0 p -75.94 163.13 27.49 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.453 -0.779 . . . . 0.0 111.013 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 28.4 m170 39.95 49.6 2.29 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 121.435 0.636 . . . . 0.0 110.314 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 27' ' ' ALA . 11.5 m120 -151.93 -29.32 0.17 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.9 t0 60.24 -1.37 0.2 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.661 -0.649 . . . . 0.0 109.499 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.519 ' H ' ' C ' ' A' ' 25' ' ' ASN . . . -87.88 111.1 21.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 0.0 109.283 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.2 t -124.98 130.4 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.67 145.76 29.21 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.44 -0.787 . . . . 0.0 109.176 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' GLU . 76.5 m-85 -109.55 138.66 45.59 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.65 -0.656 . . . . 0.0 110.15 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' PHE . 78.5 mm-40 37.03 77.56 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.213 0.53 . . . . 0.0 111.196 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.3 m -97.94 122.99 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.05 -1.031 . . . . 0.0 109.195 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 18.3 ptmt -81.88 123.55 28.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.052 -1.03 . . . . 0.0 109.825 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -140.41 144.59 36.25 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.213 -0.93 . . . . 0.0 109.391 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.478 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -70.02 131.68 44.73 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 121.793 0.806 . . . . 0.0 109.819 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -75.39 -12.41 60.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.633 -0.667 . . . . 0.0 109.835 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -82.56 0.28 43.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.117 -0.989 . . . . 0.0 109.607 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.478 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 88.9 mt -77.16 151.21 35.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.269 -0.894 . . . . 0.0 110.022 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.9 p -85.29 164.02 18.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.485 -0.759 . . . . 0.0 110.067 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.93 -43.63 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.639 -0.663 . . . . 0.0 109.39 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.64 85.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.382 -0.824 . . . . 0.0 109.493 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.64 -43.13 94.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.066 -1.021 . . . . 0.0 109.463 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.503 HD22 HD13 ' A' ' 79' ' ' LEU . 47.4 tp -63.57 -41.33 98.4 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.383 -0.823 . . . . 0.0 109.786 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -59.85 -41.59 91.76 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.182 -0.949 . . . . 0.0 109.572 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.5 m -60.31 -45.38 93.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.362 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.98 -43.58 98.39 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.075 -1.015 . . . . 0.0 109.207 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.84 -39.47 94.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.276 -0.89 . . . . 0.0 109.082 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.6 tt0 -55.16 -41.6 72.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.358 -0.839 . . . . 0.0 108.911 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.9 -42.93 97.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.371 -0.831 . . . . 0.0 109.422 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.58 -42.08 98.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.414 -0.804 . . . . 0.0 109.951 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.2 p -91.26 -15.78 28.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.928 -1.107 . . . . 0.0 109.77 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.29 0.93 8.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.23 -165.68 34.82 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 m -98.97 132.77 44.04 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.472 -1.017 . . . . 0.0 109.86 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.35 83.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.541 -0.724 . . . . 0.0 110.321 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.06 -6.79 87.6 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 119.984 -1.103 . . . . 0.0 110.58 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.2 m -107.65 -30.99 8.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.175 -1.191 . . . . 0.0 110.068 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.17 144.91 26.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 0.0 109.968 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -110.57 153.27 25.37 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.18 132.37 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.575 -0.703 . . . . 0.0 109.124 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -135.59 149.76 49.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.47 -0.769 . . . . 0.0 109.107 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.8 t -106.35 130.42 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.491 -0.755 . . . . 0.0 109.055 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -128.93 149.75 50.66 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.636 0.732 . . . . 0.0 109.699 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -139.64 91.28 2.47 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.17 -130.18 13.46 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -96.13 11.98 32.36 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.437 -1.037 . . . . 0.0 110.371 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.7 m -118.53 133.4 55.9 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.39 -0.819 . . . . 0.0 110.03 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 m -82.17 119.54 24.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.43 -0.794 . . . . 0.0 109.892 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 70' ' ' SER . 77.3 t -71.19 -50.88 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 0.0 110.161 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.1 m 164.7 -179.28 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.342 -0.848 . . . . 0.0 109.258 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.5 m -120.62 130.35 54.12 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -66.17 93.72 0.22 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.218 -0.926 . . . . 0.0 110.153 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -90.71 -23.7 20.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.443 -0.786 . . . . 0.0 109.724 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -93.85 106.0 17.99 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.311 -0.868 . . . . 0.0 109.811 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 53.2 p-10 -72.64 -15.61 61.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.264 -0.898 . . . . 0.0 109.297 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 95.5 m-20 -90.65 -3.51 57.47 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.362 -0.836 . . . . 0.0 109.202 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.65 155.21 31.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.507 -0.746 . . . . 0.0 110.098 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -83.07 160.64 21.88 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.437 -0.79 . . . . 0.0 110.306 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.503 HD13 HD22 ' A' ' 43' ' ' LEU . 45.6 tp -62.55 -41.5 98.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.499 -0.75 . . . . 0.0 109.261 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.77 -3.14 54.16 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.04 -45.4 93.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.051 -1.264 . . . . 0.0 109.022 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -107.8 -29.23 9.2 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.467 -0.77 . . . . 0.0 109.724 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.5 -106.65 0.08 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.2 -0.937 . . . . 0.0 110.242 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 61.37 32.08 19.13 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.65 -0.656 . . . . 0.0 109.89 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.6 t -158.12 130.6 7.14 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.179 -0.951 . . . . 0.0 109.173 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -77.17 147.64 36.38 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.195 -0.94 . . . . 0.0 110.42 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.43 -5.47 51.98 Favored Glycine 0 N--CA 1.5 2.902 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.7 mt -76.48 158.35 31.36 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.188 -1.184 . . . . 0.0 109.812 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -125.83 130.02 50.56 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -103.73 131.82 50.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.501 -0.749 . . . . 0.0 109.061 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -117.44 124.34 48.57 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.655 -0.653 . . . . 0.0 109.543 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.9 t -106.42 129.27 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.49 113.99 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.472 -0.768 . . . . 0.0 109.28 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -98.88 114.17 26.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.312 -0.868 . . . . 0.0 109.833 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.593 179.567 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptp . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.403 0.62 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.75 151.7 52.2 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -86.64 43.99 1.12 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 122.153 -0.616 . . . . 0.0 109.498 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -150.79 145.98 26.09 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.544 0.688 . . . . 0.0 109.761 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -66.8 -43.08 84.82 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.548 ' HD1' ' C ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -153.92 165.76 35.09 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.643 0.735 . . . . 0.0 110.58 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -64.84 -44.59 89.3 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.009 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -168.78 149.88 4.62 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.671 0.748 . . . . 0.0 110.359 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.3 p -76.95 168.02 20.81 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.658 0.742 . . . . 0.0 110.472 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -148.25 147.59 29.53 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.711 0.767 . . . . 0.0 109.998 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.13 -162.31 28.14 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -84.39 147.92 26.88 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.489 0.661 . . . . 0.0 110.163 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.1 p -150.06 116.72 5.84 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.681 0.753 . . . . 0.0 109.977 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -93.13 12.04 25.66 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -104.12 145.42 30.21 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 121.825 0.822 . . . . 0.0 109.574 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.0 pt -135.94 161.58 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.758 0.79 . . . . 0.0 110.087 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -108.11 128.19 54.47 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.691 0.758 . . . . 0.0 109.584 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.48 166.42 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 CA-C-O 121.825 0.821 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -102.13 141.56 34.77 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.706 0.765 . . . . 0.0 109.772 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.8 t -125.16 132.87 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 CA-C-O 121.764 0.792 . . . . 0.0 109.336 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 m -128.99 154.16 46.87 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.62 0.724 . . . . 0.0 109.871 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 23' ' ' SER . 54.8 t-20 -134.8 142.47 46.69 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.731 0.777 . . . . 0.0 109.742 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.518 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 68.2 m -78.51 -6.41 55.37 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.53 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 74.4 m80 -126.01 153.54 44.23 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.795 0.807 . . . . 0.0 110.533 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 56.55 3.9 0.13 Allowed 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.515 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 24' ' ' HIS . 93.2 m-20 45.77 29.01 0.63 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.11 119.67 16.62 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.53 0.681 . . . . 0.0 110.008 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.6 t -127.44 132.18 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.476 0.655 . . . . 0.0 109.58 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.21 136.34 53.06 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.547 0.689 . . . . 0.0 109.528 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -114.13 140.74 48.26 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.836 0.827 . . . . 0.0 110.579 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 55.57 47.75 20.17 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.275 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 32' ' ' VAL . 4.7 p -77.51 126.9 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-O 121.651 0.739 . . . . 0.0 110.275 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -89.58 115.9 27.33 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.689 0.757 . . . . 0.0 110.195 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.5 mt -135.72 133.64 38.26 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.581 0.705 . . . . 0.0 109.521 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.5 140.02 49.79 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.605 0.717 . . . . 0.0 110.213 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -70.66 -16.95 62.86 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.139 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -80.66 -2.87 48.46 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.691 -0.631 . . . . 0.0 110.057 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.0 mt -75.99 139.89 41.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.539 -0.726 . . . . 0.0 109.845 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.7 p -84.58 166.24 17.33 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.591 0.71 . . . . 0.0 109.882 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.87 -43.79 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.12 95.59 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -65.72 -37.71 87.16 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.508 HD22 HD13 ' A' ' 79' ' ' LEU . 55.7 tp -63.0 -40.92 99.23 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.15 -39.87 94.08 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 83.9 m -61.62 -45.57 93.53 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -64.24 -43.39 95.07 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.38 -39.8 92.71 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.1 tt0 -51.18 -47.68 62.12 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.87 -43.64 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-O 121.193 0.52 . . . . 0.0 109.6 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.15 -43.26 95.73 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.979 -0.45 . . . . 0.0 110.485 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.2 p -94.64 -15.86 23.64 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.877 -0.514 . . . . 0.0 109.712 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 64.08 17.7 61.53 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.72 -162.65 36.57 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.417 ' SG ' ' OG1' ' A' ' 57' ' ' THR . 0.8 OUTLIER -105.8 116.48 32.02 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.524 0.678 . . . . 0.0 109.192 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.64 -26.63 68.12 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.058 0.456 . . . . 0.0 109.891 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.91 -39.25 97.81 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.417 ' OG1' ' SG ' ' A' ' 54' ' ' CYS . 53.5 p -105.97 6.27 31.16 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.619 -0.93 . . . . 0.0 109.523 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.6 ttm -74.9 131.06 40.43 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.725 0.774 . . . . 0.0 110.229 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -123.83 140.88 52.55 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 121.673 0.749 . . . . 0.0 109.706 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.98 129.51 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-O 121.637 0.732 . . . . 0.0 109.685 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -130.77 129.17 42.12 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.749 0.785 . . . . 0.0 109.842 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.19 130.11 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 121.592 0.71 . . . . 0.0 109.9 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.48 ' HE1' ' HG ' ' A' ' 68' ' ' CYS . 30.8 m-85 -127.25 144.69 50.99 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.972 0.891 . . . . 0.0 110.098 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -149.0 92.17 1.94 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.42 -128.77 8.63 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -102.4 10.12 39.26 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.1 m -129.35 135.7 49.07 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.868 0.842 . . . . 0.0 110.469 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.48 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 3.2 m -82.07 130.29 35.04 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.44 0.638 . . . . 0.0 109.996 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -73.53 -55.07 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.2 t -175.85 165.9 3.04 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.668 0.747 . . . . 0.0 110.451 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.2 m -114.5 128.63 56.43 Favored 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.73 0.776 . . . . 0.0 109.474 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.0 mtt -68.85 92.22 0.49 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.377 0.608 . . . . 0.0 110.426 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.1 t0 -95.04 -24.65 16.8 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 61.3 t-20 -91.04 109.97 21.22 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.598 0.713 . . . . 0.0 110.301 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -72.26 -18.39 61.82 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 89.8 m-20 -92.07 7.44 42.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.767 -0.583 . . . . 0.0 109.442 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.38 153.07 20.7 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.665 0.745 . . . . 0.0 109.783 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -79.8 156.85 27.23 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.622 0.725 . . . . 0.0 110.177 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.508 HD13 HD22 ' A' ' 43' ' ' LEU . 40.0 tp -63.73 -41.79 97.99 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.5 -4.52 52.34 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.99 -45.09 94.08 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.971 -0.723 . . . . 0.0 109.142 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -104.94 -26.53 12.14 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.77 67.65 0.9 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.564 -0.71 . . . . 0.0 109.586 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -100.71 53.47 0.86 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 t -161.46 -131.77 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.454 0.645 . . . . 0.0 110.625 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 49.7 p-10 -169.01 139.47 2.32 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.753 0.787 . . . . 0.0 110.533 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.76 3.09 61.01 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.8 mt -72.14 153.71 41.49 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.907 -0.761 . . . . 0.0 110.069 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -116.16 129.25 56.23 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.724 0.773 . . . . 0.0 109.755 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.65 130.88 54.87 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.679 0.752 . . . . 0.0 109.738 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.518 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 83.8 t60 -104.53 118.48 36.7 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.73 0.776 . . . . 0.0 109.826 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.6 t -97.21 128.25 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-O 121.502 0.668 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.8 t -115.55 125.0 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-O 121.865 0.84 . . . . 0.0 109.762 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.53 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 27.0 p-10 -128.89 107.04 9.31 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.445 0.64 . . . . 0.0 109.6 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 117.863 -1.065 . . . . 0.0 110.03 179.577 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.625 0.726 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.95 88.35 1.58 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -87.61 -15.02 38.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.553 -0.969 . . . . 0.0 109.104 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -71.88 127.93 34.13 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.252 -0.905 . . . . 0.0 110.406 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.483 ' O ' ' ND1' ' A' ' 7' ' ' HIS . 3.1 p-80 -89.96 10.78 22.63 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.417 -0.802 . . . . 0.0 109.289 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.541 ' O ' ' N ' ' A' ' 8' ' ' HIS . 85.4 t60 54.82 -91.22 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.704 -0.623 . . . . 0.0 110.413 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' A' ' 5' ' ' HIS . 63.1 m80 41.84 -90.18 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.555 0.693 . . . . 0.0 110.663 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' A' ' 6' ' ' HIS . 30.7 t-80 -79.33 124.41 28.39 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.944 0.878 . . . . 0.0 110.143 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.463 ' O ' ' CE1' ' A' ' 8' ' ' HIS . 37.9 t -73.52 144.12 46.27 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.635 0.731 . . . . 0.0 110.26 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -155.26 126.52 7.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.353 -0.842 . . . . 0.0 110.05 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.14 16.6 80.5 Favored Glycine 0 N--CA 1.496 2.674 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -69.74 134.93 49.16 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.39 -1.065 . . . . 0.0 110.48 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t 72.13 81.76 0.14 Allowed 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.801 0.81 . . . . 0.0 109.613 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -95.66 62.83 2.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.295 -0.878 . . . . 0.0 109.121 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -128.83 146.2 50.99 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.632 -0.667 . . . . 0.0 109.641 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.0 pt -132.39 159.2 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.712 -0.617 . . . . 0.0 109.547 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -105.44 127.14 52.83 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.773 0.797 . . . . 0.0 110.196 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -135.93 162.49 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-O 121.44 0.638 . . . . 0.0 109.303 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -98.97 139.9 33.93 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -125.95 133.51 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 CA-C-O 121.725 0.774 . . . . 0.0 109.638 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.0 p -146.9 162.54 38.48 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.533 ' ND2' ' H ' ' A' ' 24' ' ' HIS . 14.4 t30 -130.8 154.16 48.31 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.933 0.873 . . . . 0.0 110.049 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -67.55 -15.11 63.49 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.304 0.573 . . . . 0.0 109.472 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.533 ' H ' ' ND2' ' A' ' 22' ' ' ASN . 79.6 m80 -131.04 167.06 19.71 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.275 -0.891 . . . . 0.0 109.996 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 58.64 151.25 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.807 0.813 . . . . 0.0 110.561 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.09 6.68 35.17 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.01 106.53 0.72 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.3 -0.875 . . . . 0.0 109.694 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -131.32 133.68 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.511 -0.743 . . . . 0.0 109.383 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.76 135.73 50.21 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLU . 99.0 m-85 -109.0 143.89 37.7 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.655 0.74 . . . . 0.0 110.369 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' PHE . 97.5 mt-10 35.02 66.72 0.29 Allowed 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 121.519 0.676 . . . . 0.0 111.005 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 p -90.54 128.4 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.225 -0.922 . . . . 0.0 109.13 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -81.58 120.21 24.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 110.09 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -132.99 135.46 45.49 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 121.52 0.676 . . . . 0.0 109.543 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.449 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -67.58 139.77 56.91 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.982 0.896 . . . . 0.0 109.957 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -75.49 -11.95 60.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.649 -0.657 . . . . 0.0 109.602 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -85.22 -0.52 54.9 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.111 -0.993 . . . . 0.0 109.565 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 93.1 mt -74.62 142.23 44.61 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.02 -1.05 . . . . 0.0 109.749 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 p -82.68 164.62 20.59 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 121.828 0.823 . . . . 0.0 110.102 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.51 -43.21 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.608 -0.683 . . . . 0.0 110.009 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.37 92.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.144 -0.972 . . . . 0.0 109.656 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.475 ' N ' ' OE1' ' A' ' 42' ' ' GLN . 3.5 mp0 -66.25 -35.61 80.86 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.355 -0.841 . . . . 0.0 109.029 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.409 HD22 HD13 ' A' ' 79' ' ' LEU . 57.9 tp -64.03 -39.27 93.71 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.454 -0.779 . . . . 0.0 109.251 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.61 -41.91 99.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.483 -0.76 . . . . 0.0 109.75 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.5 p -60.48 -44.23 96.14 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.225 -0.922 . . . . 0.0 109.835 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.423 ' NZ ' HD13 ' A' ' 38' ' ' LEU . 98.8 mttt -64.06 -44.3 92.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.156 -0.965 . . . . 0.0 109.476 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.59 -38.29 86.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 0.0 109.177 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.2 tt0 -52.61 -43.55 65.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.39 -0.819 . . . . 0.0 109.083 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.94 -44.01 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.21 -0.931 . . . . 0.0 109.242 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.97 -42.28 97.31 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.456 -0.778 . . . . 0.0 110.702 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.2 p -94.35 -16.4 23.52 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.928 -1.107 . . . . 0.0 109.427 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.94 22.68 74.12 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.7 -142.01 10.38 Favored Glycine 0 N--CA 1.494 2.56 0 O-C-N 121.247 -1.149 . . . . 0.0 110.414 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 m -135.41 114.32 12.05 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.492 -1.004 . . . . 0.0 109.056 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.95 -24.56 2.63 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.569 0.699 . . . . 0.0 110.006 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.35 6.45 72.36 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.3 p -133.85 -49.38 0.82 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.258 -1.143 . . . . 0.0 110.236 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.5 ptp -53.03 144.07 15.99 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.981 0.896 . . . . 0.0 111.044 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -109.5 149.24 29.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.646 -0.659 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.499 HG11 ' SD ' ' A' ' 72' ' ' MET . 54.0 t -116.9 128.45 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 CA-C-O 121.532 0.682 . . . . 0.0 109.44 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.78 145.26 42.17 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.477 -0.764 . . . . 0.0 109.455 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.48 132.16 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.512 -0.743 . . . . 0.0 109.566 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -125.63 147.35 49.35 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.874 0.845 . . . . 0.0 110.177 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -143.07 80.96 1.7 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.82 -127.73 8.79 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -97.41 4.36 50.64 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.427 -1.043 . . . . 0.0 109.363 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.4 m -124.08 131.13 53.52 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.327 -0.858 . . . . 0.0 110.438 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.449 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 28.0 p -78.13 122.92 26.26 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.535 0.683 . . . . 0.0 109.682 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 70' ' ' SER . 94.0 t -65.43 -46.73 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.2 m 167.52 174.4 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.142 -0.973 . . . . 0.0 110.293 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' ASP . 52.6 m -115.11 130.7 56.99 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 121.667 0.746 . . . . 0.0 109.69 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.499 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.5 mtt -62.29 73.72 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.745 0.784 . . . . 0.0 110.014 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 71' ' ' THR . 54.9 m-20 -66.57 -35.52 80.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.488 -0.758 . . . . 0.0 109.34 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -86.88 107.02 18.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.114 -0.991 . . . . 0.0 110.257 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 52.6 p30 -74.86 -16.7 60.67 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.651 0.739 . . . . 0.0 109.453 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 31.9 p-10 -93.32 0.74 57.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.175 -0.953 . . . . 0.0 109.468 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.49 162.66 23.16 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.171 -0.956 . . . . 0.0 110.229 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -83.27 158.38 22.27 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.861 0.838 . . . . 0.0 110.613 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.409 HD13 HD22 ' A' ' 43' ' ' LEU . 42.8 tp -63.54 -40.98 98.43 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.691 0.757 . . . . 0.0 109.976 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.33 -5.07 62.01 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -63.18 -44.12 96.3 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.301 -1.117 . . . . 0.0 109.361 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.96 -27.43 11.69 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.388 -0.82 . . . . 0.0 109.15 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.22 75.65 1.27 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.361 -0.837 . . . . 0.0 109.187 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -95.24 8.05 44.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.392 -0.817 . . . . 0.0 108.885 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.2 m -149.36 152.29 35.55 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.176 -0.953 . . . . 0.0 110.228 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -84.57 171.41 12.5 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.886 0.851 . . . . 0.0 111.281 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.92 -1.94 85.38 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.6 mt -77.06 154.01 33.79 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.361 -1.082 . . . . 0.0 109.934 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -119.82 131.79 55.4 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.851 0.834 . . . . 0.0 109.426 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.8 mt -103.7 132.74 49.68 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -114.66 129.8 56.72 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.487 0.66 . . . . 0.0 109.479 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.09 131.74 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.574 0.702 . . . . 0.0 109.309 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.95 119.3 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 94' ' ' ASP . 42.8 p-10 -127.43 108.14 10.57 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.733 0.778 . . . . 0.0 109.613 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 93.0 p . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 117.89 -1.052 . . . . 0.0 108.836 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtm . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.272 0.558 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.04 -172.22 55.18 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -72.74 147.36 45.68 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.687 -0.89 . . . . 0.0 110.174 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -73.79 154.32 39.59 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.603 -0.686 . . . . 0.0 110.408 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -72.31 137.06 46.42 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.49 -0.756 . . . . 0.0 109.868 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -101.87 122.91 44.9 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.511 -0.743 . . . . 0.0 109.561 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 7' ' ' HIS . 45.9 p-80 -113.63 107.05 15.26 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.545 -0.722 . . . . 0.0 109.58 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -66.52 -41.37 88.88 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.525 -0.734 . . . . 0.0 109.72 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 p -156.44 -58.43 0.09 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.344 -0.847 . . . . 0.0 109.379 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.8 m80 42.18 -109.85 0.13 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.613 -0.68 . . . . 0.0 110.504 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.95 121.44 5.8 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' SER . 21.1 ptmt -81.6 135.09 35.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.397 -1.06 . . . . 0.0 110.053 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 13' ' ' SER . 24.5 p 38.72 89.4 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 CA-C-O 121.495 0.664 . . . . 0.0 110.599 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 13' ' ' SER . 94.5 m-20 -141.05 28.47 1.9 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 15' ' ' PHE . 3.4 m-85 -128.01 153.09 47.15 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 pt -121.56 153.15 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.602 -0.686 . . . . 0.0 109.44 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -105.5 114.97 29.47 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.36 164.43 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.46 -0.775 . . . . 0.0 109.411 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -99.93 144.8 28.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.583 -0.698 . . . . 0.0 109.61 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.13 133.79 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 p -139.39 165.47 27.13 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.553 HD22 HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -143.82 131.73 21.55 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.193 -0.942 . . . . 0.0 109.631 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.532 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 60.2 m -63.23 -43.41 98.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.66 -0.65 . . . . 0.0 109.963 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -79.5 -79.42 0.14 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.589 -0.694 . . . . 0.0 110.411 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 58.7 t-20 -62.93 146.65 52.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.522 -0.736 . . . . 0.0 109.843 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.54 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 94.6 m-20 -89.24 0.86 56.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.611 -0.681 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.427 ' HB3' HD21 ' A' ' 22' ' ' ASN . . . -60.63 120.43 10.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.465 -0.772 . . . . 0.0 109.447 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -128.09 133.54 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.43 136.02 53.24 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' GLU . 93.7 m-85 -110.26 146.66 35.26 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.398 -0.814 . . . . 0.0 110.595 -178.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' PHE . 97.3 mt-10 40.58 59.1 2.21 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.353 0.596 . . . . 0.0 110.304 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 32' ' ' VAL . 9.9 p -89.8 121.58 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.428 -0.795 . . . . 0.0 109.06 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -75.39 133.18 41.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.443 -0.786 . . . . 0.0 110.137 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -137.33 130.93 31.46 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.418 -0.801 . . . . 0.0 109.277 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.5 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -69.22 141.57 54.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.449 -0.782 . . . . 0.0 109.548 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -70.65 -15.03 62.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.606 -0.684 . . . . 0.0 110.149 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -85.89 0.87 52.0 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.436 -0.79 . . . . 0.0 109.717 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.5 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 98.6 mt -74.21 139.67 44.55 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 109.984 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 80.5 p -88.75 165.71 14.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.595 -0.69 . . . . 0.0 109.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.54 -43.98 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.578 -0.701 . . . . 0.0 109.271 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.13 92.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.529 -0.732 . . . . 0.0 109.54 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.4 -36.09 82.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.354 -0.841 . . . . 0.0 109.198 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.22 -42.12 99.02 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.503 -0.748 . . . . 0.0 109.128 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.14 -42.41 99.22 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -0.854 . . . . 0.0 109.811 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.9 p -61.01 -42.87 99.28 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.271 -0.893 . . . . 0.0 109.348 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -63.42 -42.93 98.73 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.91 -39.28 93.81 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.574 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.1 tt0 -54.25 -44.6 71.91 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.3 -43.71 95.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.251 -0.906 . . . . 0.0 109.088 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.514 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -63.33 -45.2 92.37 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.676 -0.64 . . . . 0.0 109.908 -178.832 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 HD22 ' A' ' 22' ' ' ASN . 34.8 p -92.02 -12.84 32.1 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.121 -0.987 . . . . 0.0 109.367 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 63.91 18.1 61.68 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.48 -137.21 6.32 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.477 ' SG ' ' CG2' ' A' ' 57' ' ' THR . 0.5 OUTLIER -136.56 125.13 23.65 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.51 -0.994 . . . . 0.0 109.448 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.31 -13.44 61.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.582 -0.699 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.39 -4.83 75.58 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.477 ' CG2' ' SG ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -143.1 9.56 1.69 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.331 -1.099 . . . . 0.0 108.848 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 56.9 ttm -82.64 144.0 30.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.597 -0.69 . . . . 0.0 110.196 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -124.14 140.54 52.87 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.4 t -113.17 129.96 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -130.76 128.19 40.28 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -87.44 133.72 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.392 -0.817 . . . . 0.0 109.156 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -127.55 145.29 50.91 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.837 0.827 . . . . 0.0 110.219 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -143.96 92.77 2.37 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.81 -133.74 13.48 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -96.54 7.67 45.98 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.379 -1.071 . . . . 0.0 109.831 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -124.41 133.17 53.48 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.493 -0.754 . . . . 0.0 109.774 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.8 t -80.19 126.6 31.31 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.518 -0.739 . . . . 0.0 109.772 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.444 ' O ' ' CB ' ' A' ' 70' ' ' SER . 94.2 t -65.64 -45.34 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.467 -0.771 . . . . 0.0 109.751 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 168.44 176.5 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.322 -0.861 . . . . 0.0 109.398 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.7 m -116.81 129.66 56.23 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -66.21 92.29 0.18 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.354 -0.841 . . . . 0.0 110.129 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 40.4 p-10 -93.01 -21.15 19.93 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.291 -0.88 . . . . 0.0 109.501 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 85.5 m-20 -89.81 109.58 20.56 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.366 -0.834 . . . . 0.0 109.694 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -74.54 -16.63 60.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.477 -0.764 . . . . 0.0 109.622 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 34.9 p-10 -95.78 0.55 52.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.258 -0.901 . . . . 0.0 109.492 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.34 152.14 36.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.395 -0.816 . . . . 0.0 109.879 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.43 158.92 20.91 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.488 -0.758 . . . . 0.0 109.969 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.16 -42.08 99.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.575 -0.703 . . . . 0.0 109.835 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.79 -9.4 65.73 Favored Glycine 0 N--CA 1.492 2.372 0 C-N-CA 119.517 -1.325 . . . . 0.0 109.932 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.27 -45.49 91.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.216 -1.167 . . . . 0.0 109.416 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -104.39 -30.52 10.04 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.402 -0.811 . . . . 0.0 109.543 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.25 68.0 0.87 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.468 -0.77 . . . . 0.0 109.272 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -92.21 2.88 56.34 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.371 -0.83 . . . . 0.0 109.447 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.3 m -135.6 149.78 49.48 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.343 -0.848 . . . . 0.0 109.856 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -85.27 170.74 12.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.376 -0.828 . . . . 0.0 110.475 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.03 -2.91 87.19 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.5 mt -76.92 153.25 34.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.296 -1.12 . . . . 0.0 109.739 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -118.52 129.66 55.49 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.623 -0.673 . . . . 0.0 109.351 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -105.14 131.01 53.17 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.532 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 73.2 t60 -111.14 119.43 38.94 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.607 -0.683 . . . . 0.0 109.369 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.91 128.97 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.615 -0.678 . . . . 0.0 109.362 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.1 t -117.35 123.12 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -100.83 109.23 21.19 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.485 -0.759 . . . . 0.0 109.869 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.12 179.508 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mmm . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.8 9.03 86.02 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -80.84 145.17 31.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.369 -1.077 . . . . 0.0 109.637 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -149.31 165.41 32.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.895 . . . . 0.0 109.694 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -72.26 142.28 48.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.522 -0.736 . . . . 0.0 110.209 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -151.7 165.62 33.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.423 -0.798 . . . . 0.0 109.319 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -130.49 130.28 44.0 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.531 -0.731 . . . . 0.0 109.205 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -74.4 142.36 45.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.439 -0.788 . . . . 0.0 110.089 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 11' ' ' GLY . 68.1 p -88.33 76.53 8.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.381 -0.824 . . . . 0.0 109.427 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.6 m80 52.45 7.93 0.07 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.321 -0.862 . . . . 0.0 109.834 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 9' ' ' SER . . . 53.97 77.09 0.16 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -91.97 -6.24 51.62 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.398 -1.06 . . . . 0.0 108.814 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.5 m -66.86 146.11 54.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.42 -0.8 . . . . 0.0 109.426 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 97.6 m-20 -132.52 44.31 2.89 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.427 -0.795 . . . . 0.0 110.066 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 14' ' ' ASP . 84.8 m-85 -138.6 130.7 28.33 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-N 122.224 2.284 . . . . 0.0 113.13 -177.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.5 pt -135.02 154.81 37.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 113.727 -1.579 . . . . 0.0 107.426 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -111.28 134.55 52.78 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.9 m -138.26 166.58 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.395 -0.816 . . . . 0.0 109.196 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -100.71 144.14 30.04 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.533 -0.729 . . . . 0.0 109.463 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -125.46 133.66 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 t -135.87 163.45 30.21 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.446 -0.784 . . . . 0.0 109.13 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' SER . 58.3 t-20 -134.95 143.87 47.11 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.446 -0.784 . . . . 0.0 109.69 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.522 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 67.3 m -74.65 -69.5 0.46 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.458 -0.776 . . . . 0.0 110.291 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.641 ' CD2' ' O ' ' A' ' 94' ' ' ASP . 60.4 m-70 -58.32 -44.16 88.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.413 -0.804 . . . . 0.0 110.179 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -92.14 146.43 23.72 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.242 -0.911 . . . . 0.0 110.208 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 26' ' ' ASP . 60.9 t0 -93.45 4.7 53.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.529 -0.732 . . . . 0.0 109.211 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.18 129.26 39.22 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.088 -1.008 . . . . 0.0 109.699 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.95 133.25 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.43 -0.794 . . . . 0.0 109.261 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.27 138.19 44.97 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.444 -0.785 . . . . 0.0 109.177 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -115.37 139.33 50.1 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.521 -0.737 . . . . 0.0 110.236 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 56.01 55.1 7.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.689 -0.632 . . . . 0.0 110.891 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 m -79.01 125.27 38.3 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 O-C-N 121.132 -0.98 . . . . 0.0 109.106 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -93.56 113.07 25.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.977 -1.077 . . . . 0.0 109.472 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.2 mt -133.32 135.06 44.58 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.448 -0.782 . . . . 0.0 109.246 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 14' ' ' ASP . . . -68.87 142.95 54.66 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.376 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -72.95 -11.85 60.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.557 -0.715 . . . . 0.0 109.501 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -84.25 1.16 46.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.168 -0.957 . . . . 0.0 109.656 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.4 mt -77.48 143.74 38.27 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.25 -0.906 . . . . 0.0 110.155 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.7 p -86.32 165.38 16.46 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.447 -0.783 . . . . 0.0 110.006 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.89 -44.12 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.619 -0.675 . . . . 0.0 109.879 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.44 88.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -0.916 . . . . 0.0 109.295 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.04 -37.9 84.91 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.323 -0.86 . . . . 0.0 109.061 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.414 HD22 HD13 ' A' ' 79' ' ' LEU . 56.5 tp -62.32 -43.46 98.77 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.402 -0.811 . . . . 0.0 109.18 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.05 -38.99 90.85 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.346 -0.846 . . . . 0.0 109.039 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.8 m -61.17 -46.39 90.7 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.275 -0.891 . . . . 0.0 109.17 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -63.71 -44.41 93.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.333 -0.854 . . . . 0.0 109.188 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.6 -38.68 90.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.549 -0.719 . . . . 0.0 109.283 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.8 tt0 -55.31 -48.05 74.71 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.541 -0.725 . . . . 0.0 109.221 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.9 -43.34 96.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.353 -0.842 . . . . 0.0 109.119 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.28 -41.97 99.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.56 -0.712 . . . . 0.0 110.312 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.1 p -93.09 -15.65 25.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.097 -1.002 . . . . 0.0 109.588 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.5 2.04 18.9 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.0 -171.91 32.49 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 t -97.43 120.8 38.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.506 -0.996 . . . . 0.0 109.293 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.32 -30.68 70.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.435 -0.791 . . . . 0.0 110.181 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.69 90.59 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.5 p -104.57 -5.02 21.87 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.261 -1.14 . . . . 0.0 109.997 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.0 ttp -87.24 125.71 34.37 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.065 -1.022 . . . . 0.0 109.992 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -113.71 150.57 33.1 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.5 t -113.29 132.85 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.536 -0.728 . . . . 0.0 109.385 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -129.5 137.81 51.01 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.64 -0.662 . . . . 0.0 109.292 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.5 t -90.32 130.86 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.463 -0.773 . . . . 0.0 108.999 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -128.63 146.56 50.83 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.881 0.848 . . . . 0.0 110.102 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -146.3 102.82 3.64 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.66 -0.866 . . . . 0.0 108.66 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.2 -129.6 20.67 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -102.25 12.0 37.34 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.538 -0.978 . . . . 0.0 109.755 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -127.64 132.67 49.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.441 -0.787 . . . . 0.0 110.187 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.0 p -78.73 135.26 37.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.527 -0.733 . . . . 0.0 109.626 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.46 -58.71 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 0.0 109.525 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 95.9 p -173.27 164.07 4.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.527 -0.733 . . . . 0.0 109.57 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 86.3 m -110.95 126.75 55.08 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.3 mtt -64.7 85.5 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.267 -0.896 . . . . 0.0 109.755 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 39.5 p-10 -94.63 -24.22 17.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.405 -0.809 . . . . 0.0 109.895 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 99.2 m-20 -92.33 107.25 19.07 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.223 -0.923 . . . . 0.0 110.087 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -64.56 -39.38 93.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.524 -0.735 . . . . 0.0 109.922 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -66.37 -0.93 2.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.4 -0.813 . . . . 0.0 109.863 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.46 152.03 23.52 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.241 -0.912 . . . . 0.0 109.995 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -89.23 164.46 14.95 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.472 -0.767 . . . . 0.0 110.207 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.414 HD13 HD22 ' A' ' 43' ' ' LEU . 44.0 tp -63.15 -41.49 99.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.508 -0.745 . . . . 0.0 109.292 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.4 -5.74 68.22 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -62.32 -44.76 95.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.234 -1.157 . . . . 0.0 108.825 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -101.72 -51.09 3.52 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.482 -0.761 . . . . 0.0 109.372 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.7 143.71 44.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.36 -0.838 . . . . 0.0 110.204 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -169.57 26.86 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 t -149.05 143.18 25.9 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.342 -0.849 . . . . 0.0 109.737 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -85.55 124.41 32.08 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.421 -0.799 . . . . 0.0 109.982 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.16 5.23 15.2 Favored Glycine 0 N--CA 1.502 3.046 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.08 154.12 40.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -1.078 . . . . 0.0 109.668 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -117.5 124.93 49.96 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.709 -0.62 . . . . 0.0 109.539 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.25 124.41 49.49 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.428 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 82.5 t60 -99.38 128.12 45.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.376 -0.828 . . . . 0.0 109.627 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.3 t -101.13 128.0 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.474 -0.766 . . . . 0.0 109.103 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.65 98.8 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.641 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 44.3 p-10 -109.46 141.83 41.34 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.46 -0.775 . . . . 0.0 109.308 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--N 1.305 -1.337 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.549 -179.051 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.374 0.607 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.444 ' O ' ' ND1' ' A' ' 5' ' ' HIS . . . 85.87 151.86 18.06 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -104.43 1.69 30.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.561 -0.964 . . . . 0.0 108.686 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.502 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 54.1 p-80 -74.65 -11.75 60.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.539 -0.726 . . . . 0.0 109.166 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 2' ' ' GLY . 29.3 p-80 -68.38 -18.43 64.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.275 -0.891 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' HIS . 58.4 m80 -59.1 -45.37 91.05 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.241 -0.912 . . . . 0.0 109.432 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 4' ' ' HIS . 91.1 m-70 37.81 86.39 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 121.556 0.693 . . . . 0.0 110.388 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -59.17 -45.37 91.18 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.588 -0.695 . . . . 0.0 110.109 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 m -153.47 150.68 29.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.041 -1.037 . . . . 0.0 109.826 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -67.8 -40.67 83.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.495 -0.753 . . . . 0.0 110.246 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 12' ' ' LYS . . . -156.78 52.6 0.42 Allowed Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.766 -1.334 . . . . 0.0 109.766 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 14' ' ' ASP . 54.4 mtpt 43.04 -167.66 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.54 -0.977 . . . . 0.0 110.821 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 99.7 p 43.56 20.06 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.373 0.606 . . . . 0.0 109.673 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' LYS . 38.7 t70 -79.17 44.31 0.57 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.497 -0.752 . . . . 0.0 109.225 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -131.9 158.47 41.3 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.429 -0.794 . . . . 0.0 109.047 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.7 pt -124.95 155.53 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.437 -0.789 . . . . 0.0 109.328 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -103.29 112.39 25.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.388 -0.82 . . . . 0.0 109.119 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 m -141.23 164.7 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.383 -0.823 . . . . 0.0 109.253 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.32 144.74 28.98 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.456 -0.777 . . . . 0.0 109.24 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.47 132.84 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.501 -0.749 . . . . 0.0 109.094 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 m -131.24 155.22 47.48 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -146.07 132.92 20.1 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.023 -1.048 . . . . 0.0 109.469 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.4 p -75.99 170.17 16.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.387 -0.821 . . . . 0.0 110.321 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.7 m80 54.46 15.27 0.97 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.586 -0.696 . . . . 0.0 109.439 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.524 ' OD1' ' HB3' ' A' ' 27' ' ' ALA . 3.6 t-20 -150.32 130.43 13.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.21 -0.931 . . . . 0.0 109.543 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -84.28 1.7 43.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.354 -0.841 . . . . 0.0 109.218 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.524 ' HB3' ' OD1' ' A' ' 25' ' ' ASN . . . -79.38 111.54 15.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.41 -0.806 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -127.01 133.62 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.56 149.72 26.88 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.395 -0.816 . . . . 0.0 109.341 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -128.0 146.15 50.75 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.391 -0.818 . . . . 0.0 110.171 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 46.87 51.81 12.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.606 -0.683 . . . . 0.0 110.309 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.6 p -92.63 126.21 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.065 -1.022 . . . . 0.0 109.335 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -74.16 135.27 42.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.269 -0.894 . . . . 0.0 109.893 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.87 131.34 37.25 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.409 -0.807 . . . . 0.0 109.452 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.66 135.42 51.35 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.359 -0.838 . . . . 0.0 109.842 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -75.17 -14.34 60.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.472 -0.768 . . . . 0.0 109.55 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -80.06 -0.95 37.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.579 -0.7 . . . . 0.0 109.366 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.26 138.18 40.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.314 -0.866 . . . . 0.0 110.16 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.433 ' OG1' ' OE1' ' A' ' 42' ' ' GLN . 15.1 p -89.43 168.32 12.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.507 -0.745 . . . . 0.0 109.851 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.79 -44.79 99.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.602 -0.686 . . . . 0.0 109.668 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.17 97.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.307 -0.871 . . . . 0.0 109.544 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.433 ' OE1' ' OG1' ' A' ' 39' ' ' THR . 6.1 mp0 -67.55 -36.3 80.71 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.8 tp -62.07 -43.13 99.5 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.31 -0.868 . . . . 0.0 109.065 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.62 -44.06 97.26 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.293 -0.879 . . . . 0.0 109.503 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.8 p -69.55 -39.51 77.39 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.073 -1.017 . . . . 0.0 109.755 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.26 -47.87 80.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.232 -0.918 . . . . 0.0 109.11 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.04 -38.86 89.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.444 -0.785 . . . . 0.0 109.351 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.7 tt0 -50.25 -47.01 55.29 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.396 -0.815 . . . . 0.0 109.034 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.11 -43.15 88.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.478 -0.764 . . . . 0.0 109.478 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.74 -42.66 99.77 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.289 -0.882 . . . . 0.0 110.228 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.5 p -94.42 -18.08 21.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.988 -1.07 . . . . 0.0 109.858 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 72.34 14.28 77.02 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.17 -171.12 37.6 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.1 t -105.68 111.82 24.65 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.542 -0.975 . . . . 0.0 109.294 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.83 -22.73 65.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.481 -0.762 . . . . 0.0 110.276 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.33 -3.59 25.84 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.443 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -152.09 9.61 0.51 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.026 -1.279 . . . . 0.0 109.183 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 37.4 ttp -91.86 127.52 37.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.141 -0.975 . . . . 0.0 109.612 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -116.76 151.43 36.45 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -117.57 133.73 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.537 -0.727 . . . . 0.0 109.083 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -127.96 138.65 52.7 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.578 -0.702 . . . . 0.0 109.409 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.96 134.69 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.394 -0.816 . . . . 0.0 109.214 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.462 ' HE1' ' HG ' ' A' ' 68' ' ' CYS . 29.4 m-85 -126.17 148.38 49.44 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.881 0.848 . . . . 0.0 110.172 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -148.75 95.56 2.44 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.95 -133.64 17.29 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -96.94 10.02 40.3 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.367 -1.078 . . . . 0.0 109.605 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.4 m -126.83 135.36 50.9 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.415 -0.803 . . . . 0.0 109.994 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.462 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 3.2 m -83.12 125.84 31.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.525 -0.735 . . . . 0.0 109.653 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.468 ' O ' ' CB ' ' A' ' 70' ' ' SER . 86.3 t -65.52 -45.87 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.327 -0.858 . . . . 0.0 109.585 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.1 m 166.03 175.92 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.387 -0.821 . . . . 0.0 109.201 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.8 m -113.66 131.69 56.06 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -64.6 84.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.29 -0.881 . . . . 0.0 109.841 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -94.6 -22.02 18.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.45 -0.782 . . . . 0.0 109.922 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -83.28 110.53 18.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.147 -0.971 . . . . 0.0 110.46 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -68.31 -33.69 74.77 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.71 -0.619 . . . . 0.0 109.849 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 p-10 -84.01 8.51 15.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.294 -0.879 . . . . 0.0 110.189 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.94 153.23 20.33 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.005 -1.06 . . . . 0.0 109.642 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -93.07 163.48 13.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.26 -0.9 . . . . 0.0 110.416 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.6 tp -63.31 -42.29 99.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.592 -0.693 . . . . 0.0 109.734 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.21 -7.5 63.36 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -63.25 -45.88 89.49 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.268 -1.137 . . . . 0.0 109.226 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -104.99 -30.25 9.92 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.556 -0.715 . . . . 0.0 109.504 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.58 71.66 1.09 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -100.79 7.19 43.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.387 -0.821 . . . . 0.0 109.195 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.8 m -134.48 148.55 50.58 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.408 -0.807 . . . . 0.0 109.528 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -84.79 169.38 14.26 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.269 -0.894 . . . . 0.0 110.466 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.95 -4.14 85.89 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.17 168.74 19.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.197 -1.178 . . . . 0.0 109.819 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -124.77 155.46 39.32 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.731 0.777 . . . . 0.0 109.954 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.6 mt -134.97 97.25 3.69 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -87.38 118.2 26.67 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 0.0 109.584 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.04 130.72 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.362 -0.836 . . . . 0.0 109.241 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.5 t -103.1 113.4 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.315 -0.866 . . . . 0.0 109.051 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 94' ' ' ASP . 45.0 p-10 -127.11 113.76 16.83 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.463 -0.773 . . . . 0.0 109.551 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.023 -179.627 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.2 ttm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 4' ' ' HIS . . . -178.32 -165.44 33.03 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 58.75 -74.96 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.486 -1.008 . . . . 0.0 110.185 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 2' ' ' GLY . 93.9 m-70 -60.97 -40.66 94.25 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.324 -0.86 . . . . 0.0 109.893 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -61.48 -42.06 98.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.441 -0.787 . . . . 0.0 110.053 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.63 -44.55 93.55 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.658 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -93.23 173.05 7.92 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.428 -0.795 . . . . 0.0 110.237 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -99.57 109.6 22.1 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.561 -0.712 . . . . 0.0 109.865 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -61.62 -41.24 97.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.51 -0.744 . . . . 0.0 109.663 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -63.09 -39.21 94.04 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.552 -0.718 . . . . 0.0 109.227 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.31 18.13 57.79 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.091 -1.603 . . . . 0.0 109.091 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.55 133.42 52.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.478 -1.013 . . . . 0.0 110.035 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.8 p -154.23 112.57 3.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.491 -0.756 . . . . 0.0 109.097 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -114.44 47.29 1.25 Allowed 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -113.43 140.37 48.14 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.44 0.638 . . . . 0.0 109.621 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.6 pt -130.07 154.33 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.513 -0.742 . . . . 0.0 109.61 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -104.1 123.76 47.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.439 -0.788 . . . . 0.0 109.445 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.01 163.22 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.382 -0.824 . . . . 0.0 109.24 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -103.82 143.22 33.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.62 -0.675 . . . . 0.0 109.2 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.1 t -123.46 131.33 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.9 t -137.05 153.53 50.59 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.538 ' ND2' ' OD2' ' A' ' 94' ' ' ASP . 43.9 t30 -132.97 140.08 47.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.453 -0.78 . . . . 0.0 109.482 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.9 m -60.07 -37.6 80.4 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.58 -0.7 . . . . 0.0 109.754 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -105.01 153.29 21.65 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.335 -0.853 . . . . 0.0 109.899 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 70.25 149.41 0.08 Allowed 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.356 0.598 . . . . 0.0 109.783 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -90.72 6.08 45.54 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.63 106.68 0.58 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 109.207 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -131.34 134.49 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.506 -0.746 . . . . 0.0 109.035 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.31 148.36 32.08 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.373 -0.83 . . . . 0.0 109.034 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' GLU . 94.4 m-85 -124.51 143.91 50.4 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.424 -0.798 . . . . 0.0 110.321 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' PHE . 59.7 mm-40 40.97 42.75 1.6 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.317 0.579 . . . . 0.0 109.83 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.42 130.99 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.2 -0.938 . . . . 0.0 109.52 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -80.23 130.95 35.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.344 -0.848 . . . . 0.0 110.406 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -138.55 124.33 19.83 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.31 138.16 56.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.384 -0.822 . . . . 0.0 109.712 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -75.02 -16.26 60.61 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.672 -0.642 . . . . 0.0 110.154 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -81.54 -0.21 41.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 0.0 109.412 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.54 HD13 ' HZ2' ' A' ' 46' ' ' LYS . 65.1 mt -78.72 144.27 35.43 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.343 -0.848 . . . . 0.0 109.918 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.6 p -84.78 167.34 16.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.378 -0.826 . . . . 0.0 109.981 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.71 -44.28 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.687 -0.633 . . . . 0.0 109.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.18 95.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.284 -0.885 . . . . 0.0 109.753 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -65.28 -31.62 72.87 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.381 -0.825 . . . . 0.0 109.191 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.479 HD22 HD13 ' A' ' 79' ' ' LEU . 55.4 tp -72.65 -38.16 67.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.569 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -60.47 -46.63 89.37 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.244 -0.91 . . . . 0.0 110.198 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.401 ' H ' HG22 ' A' ' 45' ' ' THR . 1.8 t -63.03 -41.69 99.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.376 -0.828 . . . . 0.0 109.06 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.54 ' HZ2' HD13 ' A' ' 38' ' ' LEU . 97.6 mttt -62.6 -45.12 94.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.236 -0.915 . . . . 0.0 109.185 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.21 -38.92 89.11 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.436 -0.79 . . . . 0.0 109.199 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 52' ' ' GLY . 47.2 tp10 -51.35 -48.99 62.28 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.429 -0.794 . . . . 0.0 109.61 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.85 -44.05 96.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.803 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.7 -41.51 98.11 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.323 -0.86 . . . . 0.0 110.518 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 p -95.12 -13.44 25.08 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.055 -1.028 . . . . 0.0 109.618 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 54.19 21.02 17.23 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.443 ' O ' ' OE2' ' A' ' 48' ' ' GLU . . . -78.9 -121.1 0.29 Allowed Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.7 m -148.4 110.43 4.57 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.328 -1.101 . . . . 0.0 109.448 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.29 66.0 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.603 -0.685 . . . . 0.0 109.947 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.8 -5.41 90.06 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 58' ' ' MET . 18.9 p -132.61 -56.47 0.95 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.209 -1.171 . . . . 0.0 110.051 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.405 ' N ' ' OG1' ' A' ' 57' ' ' THR . 0.5 OUTLIER -42.36 145.71 0.38 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.391 -0.818 . . . . 0.0 110.568 -179.214 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -123.82 152.71 41.97 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.687 -0.633 . . . . 0.0 109.444 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.8 t -114.98 132.1 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.465 -0.772 . . . . 0.0 109.23 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -133.47 150.04 51.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.466 -0.771 . . . . 0.0 108.981 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.7 t -100.99 131.98 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.453 -0.779 . . . . 0.0 109.265 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -126.91 143.48 51.26 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.68 0.752 . . . . 0.0 109.402 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -136.89 83.58 2.01 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.89 -126.21 7.31 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 35.8 p-10 -98.23 7.84 45.67 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.419 -1.048 . . . . 0.0 109.843 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.4 m -123.05 131.78 53.84 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.475 -0.766 . . . . 0.0 109.981 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -82.92 119.99 25.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 109.534 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 70' ' ' SER . 94.0 t -64.65 -46.48 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.309 -0.87 . . . . 0.0 109.86 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER 164.77 -175.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.36 -0.837 . . . . 0.0 109.422 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.5 m -120.08 133.58 55.48 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.6 mtt -67.72 87.19 0.22 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.303 -0.873 . . . . 0.0 109.94 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.69 -22.74 19.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.435 -0.791 . . . . 0.0 109.599 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -88.86 105.97 18.08 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.429 -0.794 . . . . 0.0 110.55 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.12 -35.49 78.21 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.697 -0.627 . . . . 0.0 109.668 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -75.18 -4.79 40.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.503 -0.748 . . . . 0.0 109.969 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.57 152.48 28.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.221 -0.924 . . . . 0.0 109.983 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -83.97 162.93 20.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.379 -0.825 . . . . 0.0 110.614 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.479 HD13 HD22 ' A' ' 43' ' ' LEU . 43.8 tp -63.25 -41.22 99.04 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.57 -0.706 . . . . 0.0 109.273 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.59 -4.27 65.04 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -62.53 -45.16 94.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.317 -1.108 . . . . 0.0 109.273 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.03 -27.97 13.3 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.471 -0.768 . . . . 0.0 109.048 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.74 142.28 30.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.453 -0.779 . . . . 0.0 109.426 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -166.45 27.08 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.341 -0.849 . . . . 0.0 108.915 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -149.07 152.59 36.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.455 -0.778 . . . . 0.0 109.454 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -92.59 119.49 32.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.155 -0.966 . . . . 0.0 109.751 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.61 11.67 5.91 Favored Glycine 0 N--CA 1.501 2.997 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.18 151.97 42.58 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.397 -1.061 . . . . 0.0 109.356 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -116.43 125.34 51.88 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.8 mt -106.13 133.51 50.73 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -118.2 128.0 54.28 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.9 t -107.93 129.13 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.17 111.91 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.377 -0.827 . . . . 0.0 109.126 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.538 ' OD2' ' ND2' ' A' ' 22' ' ' ASN . 99.6 m-20 -99.86 113.58 26.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.314 -0.866 . . . . 0.0 110.039 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.141 179.621 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.581 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.42 -170.19 40.88 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 6' ' ' HIS . 56.8 t-80 54.64 48.84 19.43 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.421 -1.046 . . . . 0.0 109.454 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -61.15 -45.6 93.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.464 -0.773 . . . . 0.0 109.679 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.449 ' O ' ' ND1' ' A' ' 5' ' ' HIS . 64.3 t-80 -155.81 -0.79 0.14 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.479 -0.763 . . . . 0.0 109.364 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 3' ' ' HIS . 98.6 m-70 -86.47 121.55 29.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.279 -0.888 . . . . 0.0 109.599 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -91.08 7.13 42.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.376 -0.828 . . . . 0.0 109.243 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.543 ' CG ' ' N ' ' A' ' 9' ' ' SER . 53.2 t-80 43.21 -116.1 0.4 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.515 -0.74 . . . . 0.0 110.052 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.543 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 23.3 p -154.6 127.54 8.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.112 -0.993 . . . . 0.0 109.548 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -95.34 -7.83 37.5 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.373 -0.829 . . . . 0.0 108.949 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' SER . . . 98.37 -23.62 35.43 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' GLY . 98.3 mttt 38.06 -96.36 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.858 -0.79 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' GLY . 5.4 p 41.13 45.23 2.34 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 121.602 0.715 . . . . 0.0 109.936 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -82.44 12.93 3.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.462 -0.774 . . . . 0.0 109.518 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -113.33 155.89 24.36 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.1 pt -127.22 153.36 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.719 -0.613 . . . . 0.0 109.501 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -95.81 114.73 26.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.49 -0.756 . . . . 0.0 109.395 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.95 165.61 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.558 -0.714 . . . . 0.0 109.659 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -98.71 140.9 32.22 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.698 -0.626 . . . . 0.0 109.443 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.5 t -126.94 135.63 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.613 -0.679 . . . . 0.0 109.287 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.4 p -134.87 154.91 51.47 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.481 -0.762 . . . . 0.0 109.421 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 27' ' ' ALA . 78.7 m-20 -133.52 132.91 41.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.541 -0.724 . . . . 0.0 109.398 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.471 ' C ' ' H ' ' A' ' 25' ' ' ASN . 43.1 t -77.82 155.61 30.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.388 -0.82 . . . . 0.0 110.219 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 m80 68.06 -38.18 0.36 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.739 -0.601 . . . . 0.0 110.077 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 27' ' ' ALA . 98.9 m-20 -91.11 -7.32 51.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.081 -1.012 . . . . 0.0 109.034 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' ASN . 98.3 m-20 42.73 20.7 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.485 0.66 . . . . 0.0 109.613 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . -84.46 123.5 30.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.483 -0.761 . . . . 0.0 109.542 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.2 t -128.22 131.51 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.61 -0.681 . . . . 0.0 109.384 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.34 139.42 46.76 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLU . 95.5 m-85 -105.02 145.81 29.93 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.51 -0.744 . . . . 0.0 110.654 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' PHE . 98.5 mt-10 35.47 62.98 0.56 Allowed 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 121.32 0.581 . . . . 0.0 110.776 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 32' ' ' VAL . 11.5 p -90.32 127.02 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 108.704 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -82.36 120.17 25.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.247 -0.908 . . . . 0.0 110.04 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.4 mt -134.1 132.24 39.69 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.35 130.7 43.9 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.411 -0.806 . . . . 0.0 109.674 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 36' ' ' LYS . 49.3 pttt -74.64 -14.57 60.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.542 -0.724 . . . . 0.0 109.679 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -79.94 -2.43 43.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 0.0 109.406 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.1 mt -80.81 154.14 27.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.24 -0.912 . . . . 0.0 109.558 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.4 p -80.31 173.83 12.21 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.314 1.054 . . . . 0.0 110.492 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.47 -42.43 83.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 N-CA-C 102.066 -3.309 . . . . 0.0 102.066 173.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.5 -50.76 59.27 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 113.144 -1.844 . . . . 0.0 108.894 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.585 ' HA ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER -67.15 -38.53 85.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.06 -1.025 . . . . 0.0 108.708 179.467 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.518 HD22 HD13 ' A' ' 79' ' ' LEU . 46.8 tp -62.27 -44.49 96.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.327 -0.858 . . . . 0.0 109.431 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.65 -40.82 98.22 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -61.68 -46.73 88.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.287 -0.883 . . . . 0.0 109.033 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -63.87 -46.47 84.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.207 -0.933 . . . . 0.0 109.177 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 47' ' ' LEU . 97.9 mt -64.5 -35.61 81.51 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.59 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.2 tt0 -58.59 -39.88 81.61 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.38 -43.69 97.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.7 tp -64.61 -41.78 95.97 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 121.332 0.587 . . . . 0.0 110.22 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.2 p -93.12 -11.24 33.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.131 -0.981 . . . . 0.0 109.682 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 53.35 16.76 5.16 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.61 -147.28 22.4 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -113.91 125.13 53.7 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.651 -0.911 . . . . 0.0 109.847 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.404 ' HB2' ' OE1' ' A' ' 48' ' ' GLU . . . -64.72 -34.77 79.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.425 -0.797 . . . . 0.0 110.006 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.07 -37.78 93.31 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -97.98 2.27 48.77 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.057 -1.26 . . . . 0.0 109.751 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.3 ttm -79.69 138.55 37.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.375 -0.828 . . . . 0.0 109.793 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -123.19 139.21 54.29 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.503 HG11 ' SD ' ' A' ' 72' ' ' MET . 51.7 t -114.36 131.67 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -130.67 123.82 30.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.494 -0.754 . . . . 0.0 109.708 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.83 131.86 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.595 -0.691 . . . . 0.0 109.421 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -129.24 144.59 51.28 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-O 121.819 0.818 . . . . 0.0 110.292 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -147.97 80.44 1.48 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.97 -136.53 12.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -94.66 6.55 48.57 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.395 -1.062 . . . . 0.0 110.278 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.6 m -126.51 136.31 52.44 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.394 -0.816 . . . . 0.0 110.23 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.8 t -78.03 122.73 25.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.523 -0.736 . . . . 0.0 109.322 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.26 -49.43 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.272 -0.893 . . . . 0.0 110.2 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.1 p -172.51 164.09 5.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.148 -0.97 . . . . 0.0 109.788 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.1 m -118.04 127.49 53.85 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.503 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.8 mtt -67.7 90.11 0.27 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.236 -0.915 . . . . 0.0 109.843 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.414 ' O ' ' OD1' ' A' ' 73' ' ' ASP . 67.3 t0 -93.67 -30.24 15.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.438 -0.789 . . . . 0.0 109.714 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -90.86 111.43 22.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.293 -0.879 . . . . 0.0 109.648 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 51.8 p-10 -72.35 -19.13 61.69 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.341 -0.849 . . . . 0.0 109.857 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 23.9 p30 -88.01 0.09 56.37 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.363 -0.835 . . . . 0.0 109.646 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.1 153.9 27.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 109.574 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -81.87 157.01 24.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.381 -0.824 . . . . 0.0 110.301 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.518 HD13 HD22 ' A' ' 43' ' ' LEU . 38.5 tp -62.51 -41.9 99.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.5 -0.75 . . . . 0.0 109.678 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.66 -5.48 51.14 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -62.32 -46.42 88.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -1.158 . . . . 0.0 108.712 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -106.21 -29.33 9.9 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.607 -0.683 . . . . 0.0 109.275 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.71 69.61 1.61 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.521 -0.737 . . . . 0.0 109.215 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -98.16 7.14 46.71 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.359 -0.838 . . . . 0.0 109.505 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 t -141.67 145.72 35.27 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.327 -0.858 . . . . 0.0 109.473 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.4 p30 -83.02 169.69 15.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.335 -0.853 . . . . 0.0 110.025 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.4 -5.94 84.22 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -75.9 153.76 36.48 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.331 -1.099 . . . . 0.0 109.208 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -115.03 129.37 56.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.492 -0.755 . . . . 0.0 109.374 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.66 126.98 53.57 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -114.29 120.41 40.31 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.49 0.662 . . . . 0.0 109.539 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -93.48 131.12 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.595 -0.691 . . . . 0.0 109.368 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 49.1 t -118.08 113.31 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -102.15 111.59 23.94 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.549 -0.719 . . . . 0.0 109.77 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.906 -1.045 . . . . 0.0 109.42 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.7 mtp . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.497 0.665 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.64 18.67 51.88 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -60.78 -41.21 95.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.338 -1.095 . . . . 0.0 109.525 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -100.84 114.51 28.39 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.309 -0.87 . . . . 0.0 109.925 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 54.45 105.81 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.724 0.773 . . . . 0.0 110.285 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -71.88 -18.78 62.02 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.504 -0.748 . . . . 0.0 109.004 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -151.45 163.78 38.23 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.282 -0.886 . . . . 0.0 110.083 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -144.02 126.98 16.39 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.219 -0.925 . . . . 0.0 109.797 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -61.93 -42.68 99.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.402 -0.811 . . . . 0.0 109.741 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -146.4 145.1 30.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.148 -0.97 . . . . 0.0 109.77 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.49 -128.59 2.38 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -75.3 144.37 42.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.489 -1.007 . . . . 0.0 110.17 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 t -70.75 107.41 3.95 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.609 -0.682 . . . . 0.0 110.06 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -103.17 69.05 1.0 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.454 -0.779 . . . . 0.0 109.426 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 35' ' ' ALA . 79.0 m-85 -129.74 147.17 51.49 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.551 -0.718 . . . . 0.0 109.576 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.2 pt -132.48 147.11 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.479 -0.763 . . . . 0.0 109.767 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -90.56 127.75 36.36 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.703 0.763 . . . . 0.0 110.274 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.1 162.06 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.476 -0.765 . . . . 0.0 109.949 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -100.4 138.14 37.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.461 -0.775 . . . . 0.0 109.237 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -125.2 132.78 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 CA-C-O 121.606 0.717 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.7 p -136.92 162.67 32.62 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.656 0.741 . . . . 0.0 109.656 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -143.39 139.79 30.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.391 -0.818 . . . . 0.0 109.431 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.3 m -60.41 -38.93 85.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.567 -0.708 . . . . 0.0 110.122 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.421 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 76.4 m80 -100.55 159.94 14.75 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.274 -0.891 . . . . 0.0 110.64 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m120 60.57 145.18 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.83 0.824 . . . . 0.0 109.942 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -85.08 9.34 15.08 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 0.0 108.749 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.84 107.3 1.77 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.529 -0.732 . . . . 0.0 109.625 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -131.46 133.78 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.86 139.29 42.67 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.516 -0.74 . . . . 0.0 109.17 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 31' ' ' GLU . 69.3 m-85 -111.83 145.59 39.17 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.686 -0.634 . . . . 0.0 110.266 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' PHE . 16.2 pt-20 33.52 45.11 0.08 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.4 0.619 . . . . 0.0 110.791 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.0 p -78.41 126.41 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -84.75 136.66 33.61 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.641 0.734 . . . . 0.0 110.574 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -137.1 142.89 42.32 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.477 -0.764 . . . . 0.0 109.611 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.475 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . . . -70.39 138.19 51.1 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.745 0.783 . . . . 0.0 109.482 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -75.09 -15.0 60.63 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.466 -0.771 . . . . 0.0 109.82 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.11 -1.35 43.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 109.436 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.462 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 96.1 mt -76.48 143.42 40.5 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.143 -0.973 . . . . 0.0 110.231 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.4 p -85.67 165.53 16.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.421 -0.799 . . . . 0.0 110.47 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.46 -43.52 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.68 -0.638 . . . . 0.0 110.09 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.93 98.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.191 -0.943 . . . . 0.0 109.836 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.26 -35.13 79.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.337 -0.852 . . . . 0.0 109.324 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.85 -39.48 94.31 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.551 -0.718 . . . . 0.0 109.381 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.511 ' HZ1' ' HB ' ' A' ' 60' ' ' VAL . 14.4 mptt -62.05 -42.8 99.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.478 -0.764 . . . . 0.0 109.276 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.4 p -59.66 -44.21 93.65 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.233 -0.917 . . . . 0.0 109.61 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -62.98 -43.18 99.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 109.473 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.58 -38.54 89.82 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.452 -0.78 . . . . 0.0 109.361 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.7 tt0 -56.78 -37.43 71.1 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.2 mm -68.6 -43.58 83.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.411 -0.806 . . . . 0.0 108.967 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.33 -40.84 96.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.435 -0.79 . . . . 0.0 110.146 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.2 p -94.15 -14.93 25.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.061 -1.024 . . . . 0.0 109.367 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 63.36 19.75 62.46 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.86 -145.84 16.55 Favored Glycine 0 N--CA 1.494 2.556 0 O-C-N 121.248 -1.148 . . . . 0.0 110.292 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 m -123.89 132.38 53.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.586 -0.949 . . . . 0.0 109.434 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.46 -13.83 60.4 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.685 -0.635 . . . . 0.0 109.607 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.59 -0.98 64.56 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.0 OUTLIER -146.46 17.85 1.33 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.415 -1.05 . . . . 0.0 108.29 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.7 ttm -87.71 132.85 33.98 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.448 -0.782 . . . . 0.0 110.628 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -127.02 133.75 50.47 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.511 ' HB ' ' HZ1' ' A' ' 44' ' ' LYS . 53.4 t -119.99 134.4 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.53 -0.731 . . . . 0.0 109.238 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.488 ' N ' ' CD ' ' A' ' 61' ' ' GLN . 2.0 mp0 -127.51 132.49 49.94 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.509 0.671 . . . . 0.0 109.214 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.5 t -83.56 134.14 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.53 -0.731 . . . . 0.0 109.837 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -126.67 144.65 50.85 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.89 0.852 . . . . 0.0 109.859 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -144.3 87.89 1.91 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.27 -127.56 8.01 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -100.91 11.72 39.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -1.097 . . . . 0.0 109.114 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.1 m -130.01 130.67 45.28 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.757 0.789 . . . . 0.0 110.266 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.5 t -79.23 124.69 28.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.448 -0.782 . . . . 0.0 109.721 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 70' ' ' SER . 88.3 t -65.97 -45.68 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.351 -0.843 . . . . 0.0 109.596 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 166.75 177.02 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.261 -0.899 . . . . 0.0 109.905 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 89.9 m -114.79 130.32 56.84 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.625 0.726 . . . . 0.0 109.515 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt -65.64 84.39 0.07 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.463 -0.773 . . . . 0.0 109.784 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.48 -20.06 21.36 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.613 -0.68 . . . . 0.0 109.414 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -89.5 104.99 17.5 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.07 -1.019 . . . . 0.0 109.937 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.94 -34.16 74.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.6 -0.688 . . . . 0.0 109.446 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 38.9 p-10 -77.32 -2.23 33.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.402 -0.811 . . . . 0.0 109.721 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.37 148.94 25.36 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.258 -0.901 . . . . 0.0 110.032 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -80.13 165.59 22.32 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.839 0.828 . . . . 0.0 110.615 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.46 -41.47 98.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.601 -0.687 . . . . 0.0 109.467 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.75 -3.88 51.6 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -62.5 -44.96 95.11 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.343 -1.093 . . . . 0.0 109.434 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -105.26 -27.73 11.36 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.477 -0.764 . . . . 0.0 109.078 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.42 80.63 2.1 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.434 -0.791 . . . . 0.0 109.318 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -101.88 11.69 38.21 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -146.43 147.94 31.77 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.275 -0.89 . . . . 0.0 109.975 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -82.55 167.68 18.11 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.351 -0.843 . . . . 0.0 110.592 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.84 -3.4 82.97 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.84 152.02 38.98 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.365 -1.08 . . . . 0.0 110.023 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -120.82 131.13 54.28 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.576 -0.703 . . . . 0.0 109.6 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -107.27 132.25 53.3 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -110.71 118.82 37.2 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.527 0.679 . . . . 0.0 109.498 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.3 t -91.17 130.11 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.695 -0.628 . . . . 0.0 109.613 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.05 103.04 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.421 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 39.2 p-10 -102.56 111.67 24.08 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.635 -0.666 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 117.979 -1.01 . . . . 0.0 108.964 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.365 0.603 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.81 -39.16 94.99 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 -153.87 148.27 26.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -1.172 . . . . 0.0 109.695 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -134.3 -37.45 0.87 Allowed 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 46.62 90.12 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.311 -0.868 . . . . 0.0 110.107 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.518 ' O ' ' ND1' ' A' ' 7' ' ' HIS . 15.9 t-80 -65.42 -48.13 73.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.481 -0.762 . . . . 0.0 109.439 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.527 ' O ' ' ND1' ' A' ' 8' ' ' HIS . 40.8 m80 -153.62 139.16 17.76 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.111 -0.993 . . . . 0.0 110.005 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' A' ' 7' ' ' HIS . 52.1 m80 -154.11 -3.66 0.18 Allowed 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.2 p -152.33 135.13 15.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 0.0 109.314 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.511 ' ND1' ' N ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -107.49 123.4 48.36 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.548 -0.72 . . . . 0.0 109.943 -179.849 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.61 -173.42 54.44 Favored Glycine 0 N--CA 1.491 2.302 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.117 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt 47.92 30.29 1.93 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.663 -0.904 . . . . 0.0 110.214 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.8 p -73.66 163.64 27.72 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.129 -0.982 . . . . 0.0 110.229 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -131.79 57.61 1.77 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.569 -0.707 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.95 145.92 52.19 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.6 pt -133.17 160.92 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.511 -0.743 . . . . 0.0 109.971 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -116.8 120.74 39.49 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.92 168.02 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.536 -0.728 . . . . 0.0 109.718 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -98.89 141.67 31.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.495 -0.753 . . . . 0.0 109.461 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.9 t -122.97 132.91 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.524 -0.735 . . . . 0.0 109.426 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.9 t -150.69 178.13 9.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.458 -0.776 . . . . 0.0 109.618 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -147.61 167.15 25.3 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.304 -0.873 . . . . 0.0 109.849 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.8 t -63.01 -42.35 99.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.526 -0.734 . . . . 0.0 110.032 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -68.81 -10.52 57.24 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.224 -0.923 . . . . 0.0 108.611 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 27' ' ' ALA . 64.6 t-20 50.92 -121.38 1.77 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.58 -0.7 . . . . 0.0 109.908 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' H ' ' CG ' ' A' ' 25' ' ' ASN . 99.1 m-20 57.32 -68.99 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.391 0.615 . . . . 0.0 109.939 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . -97.25 118.44 33.71 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.328 -0.858 . . . . 0.0 109.811 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.23 133.71 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.47 129.33 55.56 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -111.02 148.13 33.24 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.562 0.696 . . . . 0.0 110.204 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 55.43 60.81 3.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.723 -0.611 . . . . 0.0 110.337 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 1.6 m -85.95 129.81 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 121.086 -1.009 . . . . 0.0 109.414 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -107.01 106.13 16.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.318 -0.863 . . . . 0.0 108.803 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.2 mt -127.15 144.13 51.11 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.482 -0.761 . . . . 0.0 109.193 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.31 144.11 42.59 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.525 -0.734 . . . . 0.0 110.359 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -72.84 -12.99 61.19 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.548 -0.72 . . . . 0.0 109.588 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -81.1 -0.79 41.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.276 -0.89 . . . . 0.0 109.743 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.5 142.3 37.55 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.878 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.5 p -84.66 165.87 17.55 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.304 -0.873 . . . . 0.0 110.267 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.22 -43.35 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.591 -0.693 . . . . 0.0 109.605 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.05 96.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.269 -0.895 . . . . 0.0 109.579 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.78 -36.47 82.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 0.0 108.962 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.482 HD22 HD13 ' A' ' 79' ' ' LEU . 55.7 tp -62.92 -42.6 99.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.391 -0.818 . . . . 0.0 109.137 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -63.11 -38.37 90.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.504 -0.747 . . . . 0.0 109.489 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.0 m -59.93 -46.25 89.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.376 -0.828 . . . . 0.0 109.148 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.66 -43.68 96.02 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.297 -0.877 . . . . 0.0 109.223 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.87 -38.85 92.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.363 -0.836 . . . . 0.0 109.327 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.7 tt0 -54.78 -48.05 73.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.298 -0.876 . . . . 0.0 109.257 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.75 -43.51 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.9 . . . . 0.0 109.431 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.21 -41.7 96.93 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.469 -0.769 . . . . 0.0 110.483 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.6 p -94.56 -13.64 25.81 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.991 -1.068 . . . . 0.0 109.365 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.84 11.32 53.97 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.52 -159.41 23.55 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.2 m -118.89 122.17 41.68 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.657 -0.908 . . . . 0.0 109.336 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.94 68.65 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.515 -0.741 . . . . 0.0 109.777 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.83 -5.79 33.62 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 t -140.73 1.92 1.75 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.168 -1.196 . . . . 0.0 109.332 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.2 ttm -78.94 139.43 38.25 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 110.193 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -124.71 141.09 52.35 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.565 -0.709 . . . . 0.0 109.602 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.3 t -115.17 132.32 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.675 -0.641 . . . . 0.0 109.327 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -127.87 130.49 48.64 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.14 132.58 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.397 -0.814 . . . . 0.0 109.565 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -127.05 144.88 50.91 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.759 0.79 . . . . 0.0 110.109 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -141.31 82.62 1.83 Allowed 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.41 -129.03 9.06 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -96.87 3.98 51.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.469 -1.018 . . . . 0.0 109.603 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.1 m -126.26 132.71 51.64 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.45 -0.781 . . . . 0.0 110.461 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 p -80.77 125.2 29.77 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.507 -0.745 . . . . 0.0 110.047 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.448 ' O ' ' OG ' ' A' ' 70' ' ' SER . 11.2 t -66.05 -44.88 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.406 -0.809 . . . . 0.0 109.31 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 69' ' ' VAL . 2.2 m 171.4 179.16 0.06 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.433 -0.792 . . . . 0.0 109.345 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 99.1 m -119.0 130.43 55.68 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.431 0.634 . . . . 0.0 109.64 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.3 mtt -63.81 84.98 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.588 -0.695 . . . . 0.0 109.603 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 28.5 p30 -93.57 -19.92 20.73 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.466 -0.771 . . . . 0.0 109.678 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 55.3 t-20 -95.42 106.35 18.4 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.162 -0.961 . . . . 0.0 110.065 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -67.47 -35.48 79.27 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.713 -0.617 . . . . 0.0 110.025 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -73.88 -4.49 35.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 110.115 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.87 153.8 27.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.126 -0.984 . . . . 0.0 110.509 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -81.57 162.38 23.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.584 -0.698 . . . . 0.0 110.477 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.482 HD13 HD22 ' A' ' 43' ' ' LEU . 40.5 tp -63.12 -41.8 99.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.471 -0.768 . . . . 0.0 109.714 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.88 -3.67 56.29 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -63.08 -44.98 94.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.337 -1.096 . . . . 0.0 109.598 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -106.26 -31.0 8.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.501 -0.75 . . . . 0.0 109.426 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.43 77.65 1.3 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.476 -0.765 . . . . 0.0 109.178 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -100.22 5.86 44.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.439 -0.788 . . . . 0.0 109.397 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.2 m -134.63 149.09 50.52 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.365 -0.834 . . . . 0.0 109.807 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -84.86 171.56 12.12 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.435 -0.791 . . . . 0.0 110.377 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.79 -1.88 87.94 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.6 mt -78.89 160.38 27.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.369 -1.077 . . . . 0.0 110.081 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -126.18 135.87 52.16 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.481 0.657 . . . . 0.0 109.685 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.1 mt -107.86 129.91 55.04 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -112.32 114.58 27.41 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.0 t -96.57 126.98 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.373 -0.83 . . . . 0.0 109.427 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.59 117.08 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -112.92 145.46 40.71 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.408 0.623 . . . . 0.0 109.942 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.008 179.683 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.1 ttp . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.308 0.575 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.9 -131.89 46.12 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -150.22 164.7 35.03 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.257 -1.143 . . . . 0.0 109.711 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -82.98 133.84 35.09 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.43 -0.794 . . . . 0.0 110.194 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -78.63 160.65 27.43 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.469 -0.77 . . . . 0.0 110.429 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 57.87 95.43 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 121.312 0.577 . . . . 0.0 110.078 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -150.52 164.49 35.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.48 -0.763 . . . . 0.0 109.624 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.521 ' CG ' ' N ' ' A' ' 9' ' ' SER . 47.6 t-80 49.16 -111.24 0.45 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.536 -0.728 . . . . 0.0 110.27 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.521 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 24.7 p -157.45 163.12 38.84 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.212 -0.93 . . . . 0.0 109.735 -179.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -144.87 160.37 41.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.432 -0.793 . . . . 0.0 109.436 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.4 -99.86 0.27 Allowed Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -156.11 114.34 3.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.18 -1.188 . . . . 0.0 109.578 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.8 m -145.19 -61.17 0.35 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.47 -0.769 . . . . 0.0 109.047 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -89.12 1.31 55.8 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.453 -0.779 . . . . 0.0 109.565 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -111.03 146.71 36.23 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.555 -0.716 . . . . 0.0 110.105 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.2 pt -127.23 159.87 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -101.35 119.75 39.23 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.312 -0.868 . . . . 0.0 109.619 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -138.55 165.17 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.532 -0.73 . . . . 0.0 109.636 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -102.04 142.54 33.15 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.621 -0.674 . . . . 0.0 109.523 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -125.83 135.08 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.624 -0.672 . . . . 0.0 109.188 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 96.5 p -145.27 166.16 26.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.337 -0.852 . . . . 0.0 108.871 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.512 HD22 HG22 ' A' ' 51' ' ' THR . 28.7 p30 -143.02 154.28 43.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.237 -0.914 . . . . 0.0 109.935 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 m -62.51 -41.77 99.06 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.574 -0.704 . . . . 0.0 110.17 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 25' ' ' ASN . 75.9 m80 -91.66 153.15 19.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.136 -0.977 . . . . 0.0 110.62 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' HIS . 75.0 m-20 59.08 143.2 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.673 0.749 . . . . 0.0 110.599 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.8 4.08 34.68 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.84 109.23 0.6 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.494 -0.754 . . . . 0.0 109.664 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -126.15 133.36 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.525 -0.734 . . . . 0.0 109.228 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.8 139.79 36.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -118.49 143.62 46.6 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.504 -0.748 . . . . 0.0 110.296 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 48.24 51.41 14.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.561 -0.712 . . . . 0.0 109.573 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 32' ' ' VAL . 9.8 p -84.44 125.46 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.343 -0.848 . . . . 0.0 109.587 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -81.85 120.16 24.83 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.309 -0.869 . . . . 0.0 109.994 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.3 mt -135.58 138.3 42.84 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.478 -0.764 . . . . 0.0 109.246 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.36 127.82 33.84 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.438 -0.789 . . . . 0.0 109.803 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -75.39 -11.74 60.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.58 -0.7 . . . . 0.0 109.834 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -80.46 -1.11 40.19 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.197 -0.939 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -77.19 149.84 35.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.349 -0.845 . . . . 0.0 111.008 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.1 p -83.17 165.27 19.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.497 -0.752 . . . . 0.0 110.292 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.51 -43.71 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.502 -0.749 . . . . 0.0 109.933 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.16 98.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.239 -0.913 . . . . 0.0 110.066 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -65.26 -34.66 78.87 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.203 -0.936 . . . . 0.0 109.21 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.458 HD22 HD13 ' A' ' 79' ' ' LEU . 57.0 tp -62.74 -41.01 98.97 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.389 -0.819 . . . . 0.0 109.044 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.82 -40.08 91.38 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.336 -0.852 . . . . 0.0 109.103 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m -61.21 -45.9 92.66 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.289 -0.882 . . . . 0.0 109.272 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -63.58 -43.51 96.79 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.317 -0.864 . . . . 0.0 109.142 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.15 -38.91 93.05 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.9 tt0 -54.08 -46.23 71.96 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.248 -0.907 . . . . 0.0 109.45 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.12 -43.43 98.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 120.717 -1.24 . . . . 0.0 108.979 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.04 -45.21 82.25 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.323 -0.86 . . . . 0.0 111.355 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.512 HG22 HD22 ' A' ' 22' ' ' ASN . 67.5 p -107.1 -47.23 3.73 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.157 -0.965 . . . . 0.0 110.352 -178.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 76.64 23.76 69.25 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.81 34.32 2.98 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.5 m 64.96 109.46 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.652 -0.91 . . . . 0.0 110.184 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.76 78.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.753 -0.592 . . . . 0.0 109.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.88 -34.79 90.83 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 m -98.56 -11.57 22.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.161 -1.199 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.5 ttm -68.87 140.33 55.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 109.801 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -127.23 146.5 50.4 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.594 -0.691 . . . . 0.0 109.233 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG11 ' SD ' ' A' ' 72' ' ' MET . 49.9 t -114.03 131.9 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.608 -0.683 . . . . 0.0 109.172 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -133.63 133.09 41.54 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.2 t -90.01 132.55 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.379 -0.826 . . . . 0.0 109.428 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -128.8 147.78 50.82 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.664 -0.648 . . . . 0.0 109.502 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -142.51 95.84 2.85 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.73 -96.44 1.29 Allowed Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -133.74 24.16 3.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.507 -0.996 . . . . 0.0 109.171 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.4 t -140.01 144.39 36.91 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.352 -0.843 . . . . 0.0 110.173 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.33 120.4 30.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.543 -0.723 . . . . 0.0 109.974 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.38 -44.9 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.248 -0.907 . . . . 0.0 109.142 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 m 172.61 170.31 0.12 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.507 -0.746 . . . . 0.0 109.081 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' ASP . 53.7 m -110.96 128.4 55.82 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.632 -0.668 . . . . 0.0 109.307 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.45 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.3 mtt -63.19 83.25 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.24 -0.913 . . . . 0.0 109.302 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 48.0 p-10 -90.93 -23.4 20.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.39 -0.819 . . . . 0.0 109.305 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 25.7 t-20 -95.57 105.37 17.34 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.324 -0.86 . . . . 0.0 109.851 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -65.49 -37.75 87.73 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.629 -0.669 . . . . 0.0 109.73 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -62.87 -3.89 1.84 Allowed 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.287 -0.883 . . . . 0.0 109.238 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.428 ' N ' ' OD1' ' A' ' 74' ' ' ASN . . . -82.27 154.07 25.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.337 -0.852 . . . . 0.0 109.985 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -90.46 162.43 15.08 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.34 -0.85 . . . . 0.0 110.226 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.458 HD13 HD22 ' A' ' 43' ' ' LEU . 47.2 tp -64.22 -40.07 95.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.598 -0.689 . . . . 0.0 109.679 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.84 -6.22 71.97 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -62.93 -44.25 96.59 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.488 -1.007 . . . . 0.0 109.23 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -106.48 -27.79 10.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.624 -0.672 . . . . 0.0 109.347 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.8 64.4 1.08 Allowed 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.9 p30 -96.29 8.37 44.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.471 -0.768 . . . . 0.0 109.565 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -137.66 141.19 41.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.305 -0.872 . . . . 0.0 109.703 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.55 162.08 24.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.493 -0.755 . . . . 0.0 110.469 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.58 -1.24 75.35 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.1 mt -77.16 155.77 32.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.304 -1.115 . . . . 0.0 110.072 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -116.01 125.92 53.12 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -105.05 131.1 52.98 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -119.5 128.67 54.19 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.4 t -101.99 130.34 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 88.8 t -111.41 110.82 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.656 -0.653 . . . . 0.0 109.324 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -96.99 141.05 30.62 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.476 -0.765 . . . . 0.0 109.738 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.91 179.884 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 121.492 0.663 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.43 -5.29 83.85 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -67.8 -39.86 83.95 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.827 -0.808 . . . . 0.0 109.849 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -71.86 137.77 47.75 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.603 0.716 . . . . 0.0 109.988 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.522 ' C ' ' H ' ' A' ' 7' ' ' HIS . 98.3 m-70 -96.09 167.39 11.25 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.345 0.593 . . . . 0.0 110.047 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 68.09 -37.55 0.34 Allowed 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.522 ' H ' ' C ' ' A' ' 5' ' ' HIS . 72.0 m80 -66.62 -42.11 87.32 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -94.58 -168.03 1.76 Allowed 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.701 0.762 . . . . 0.0 110.143 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 m -73.86 171.68 12.94 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.53 0.681 . . . . 0.0 110.726 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.2 t60 59.21 84.56 0.11 Allowed 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.622 0.725 . . . . 0.0 110.148 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.78 -121.89 0.8 Allowed Glycine 0 N--CA 1.489 2.2 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.4 tttp 57.24 101.93 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.638 0.732 . . . . 0.0 110.005 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.2 p -159.95 86.9 0.78 Allowed 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.674 0.749 . . . . 0.0 109.398 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -101.93 51.99 0.82 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -129.73 145.24 51.55 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.584 0.707 . . . . 0.0 109.135 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 pt -128.31 152.38 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 CA-C-O 121.708 0.766 . . . . 0.0 110.263 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -99.16 118.28 35.54 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.725 0.774 . . . . 0.0 110.417 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.13 165.75 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 CA-C-O 121.653 0.74 . . . . 0.0 109.923 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' A' ' 20' ' ' VAL . 61.2 t-20 -101.89 141.82 34.15 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.541 0.686 . . . . 0.0 109.675 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.511 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 54.9 t -124.68 133.42 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.918 0.866 . . . . 0.0 109.623 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 t -135.15 148.37 49.71 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.596 0.712 . . . . 0.0 109.832 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -119.48 133.02 55.88 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.788 0.804 . . . . 0.0 109.549 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.8 t -63.54 -44.48 94.06 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.934 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -116.97 82.24 1.77 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.63 0.729 . . . . 0.0 110.162 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -175.22 -24.03 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.709 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.0 t0 62.75 -0.56 0.55 Allowed 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 25' ' ' ASN . . . -95.04 129.78 41.99 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.642 0.735 . . . . 0.0 110.21 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -129.71 132.01 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-O 121.601 0.715 . . . . 0.0 110.056 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.14 136.47 44.58 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.444 0.64 . . . . 0.0 109.476 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -116.18 142.25 47.07 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.933 0.873 . . . . 0.0 111.197 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 51.75 48.72 22.28 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.468 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 32' ' ' VAL . 6.2 p -90.77 116.56 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-O 121.774 0.797 . . . . 0.0 109.728 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -83.2 130.42 35.09 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.852 0.834 . . . . 0.0 109.899 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.4 mt -139.61 142.0 37.1 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.664 0.745 . . . . 0.0 109.588 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.31 129.2 39.0 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.817 0.818 . . . . 0.0 110.015 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -75.51 -15.4 60.4 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.958 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -80.92 -2.07 46.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.741 -0.599 . . . . 0.0 109.66 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.495 HD13 ' NZ ' ' A' ' 46' ' ' LYS . 77.3 mt -76.56 145.57 38.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 109.982 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.2 p -85.81 166.38 16.1 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 121.622 0.725 . . . . 0.0 110.106 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.54 -43.45 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 CA-C-O 121.173 0.511 . . . . 0.0 109.779 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.61 -44.55 89.95 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.753 -0.592 . . . . 0.0 109.598 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.19 -41.15 90.64 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.757 -0.59 . . . . 0.0 109.447 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.81 -38.56 89.27 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.02 -42.54 90.4 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.792 -0.568 . . . . 0.0 109.526 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.9 p -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' NZ ' HD13 ' A' ' 38' ' ' LEU . 98.6 mttt -63.35 -41.8 98.86 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.61 -38.45 91.05 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 52' ' ' GLY . 12.0 tm-20 -54.27 -47.36 72.41 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.876 -0.515 . . . . 0.0 109.926 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 92.0 mt -66.16 -42.84 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.61 -41.95 98.25 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.971 -0.456 . . . . 0.0 110.318 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 p -94.03 -16.52 23.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.633 -0.667 . . . . 0.0 109.452 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.38 15.49 61.39 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.18 -157.27 31.84 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -111.87 123.28 49.91 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.612 0.72 . . . . 0.0 109.49 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 -23.19 67.17 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 121.226 0.536 . . . . 0.0 109.808 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.9 -42.14 99.54 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -106.55 10.91 31.09 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.498 -1.001 . . . . 0.0 109.897 -178.821 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.6 ttm -77.69 135.64 38.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.447 -0.783 . . . . 0.0 110.169 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -131.09 138.17 49.43 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.588 0.709 . . . . 0.0 109.641 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.514 HG11 ' SD ' ' A' ' 72' ' ' MET . 53.3 t -110.51 131.44 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-O 121.617 0.723 . . . . 0.0 109.495 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -133.57 123.58 25.38 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.734 0.778 . . . . 0.0 109.789 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.6 t -78.07 134.31 28.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-O 121.569 0.699 . . . . 0.0 109.577 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -126.38 146.74 49.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.06 0.933 . . . . 0.0 110.33 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -152.93 95.86 2.03 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.19 -129.44 10.6 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.6 p30 -98.9 7.53 45.93 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 122.089 -0.653 . . . . 0.0 109.351 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.6 m -129.36 134.58 47.95 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.89 0.853 . . . . 0.0 110.903 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.8 m -82.65 124.73 30.46 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.329 0.585 . . . . 0.0 109.469 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.6 t -66.7 -50.04 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.886 -0.509 . . . . 0.0 110.159 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -174.55 170.32 3.51 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.766 0.793 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 73' ' ' ASP . 64.7 m -116.34 127.19 54.45 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.445 0.64 . . . . 0.0 109.405 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.514 ' SD ' HG11 ' A' ' 60' ' ' VAL . 64.4 mtt -68.75 65.12 0.12 Allowed 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.481 0.658 . . . . 0.0 109.421 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 71' ' ' THR . 36.9 p-10 -82.19 -7.09 59.61 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.63 110.08 21.9 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.736 0.779 . . . . 0.0 109.523 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 43.7 p-10 -75.06 -17.07 60.54 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 36.2 p30 -93.44 -2.34 54.67 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.97 151.98 28.22 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.703 0.763 . . . . 0.0 110.462 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -85.15 159.8 20.07 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.617 0.722 . . . . 0.0 110.452 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.14 -39.8 94.8 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.37 -9.33 77.33 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -62.99 -44.5 95.87 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.723 -0.869 . . . . 0.0 109.126 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -104.8 -25.97 12.43 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.34 70.55 0.97 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.587 -0.696 . . . . 0.0 109.135 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.0 p30 -97.24 12.01 34.41 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.1 t -149.48 149.25 30.47 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.707 0.765 . . . . 0.0 110.065 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -83.52 167.83 17.03 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.481 0.657 . . . . 0.0 110.251 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.05 -1.95 85.17 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.66 154.24 34.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.826 -0.808 . . . . 0.0 110.274 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -122.18 128.7 51.54 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.759 0.79 . . . . 0.0 109.997 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.1 mt -104.58 131.47 51.95 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.431 0.634 . . . . 0.0 109.832 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -114.63 116.85 29.39 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.642 0.735 . . . . 0.0 109.62 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 87.1 t -90.91 132.26 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 121.419 0.628 . . . . 0.0 109.698 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -118.77 116.24 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 CA-C-O 121.759 0.79 . . . . 0.0 109.553 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -112.47 111.95 23.16 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.582 0.706 . . . . 0.0 110.036 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.66 179.278 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.93 -165.22 32.01 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -66.01 -35.49 80.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.394 -1.063 . . . . 0.0 109.682 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.459 ' C ' ' H ' ' A' ' 6' ' ' HIS . 78.0 m80 -69.94 158.95 34.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.89 . . . . 0.0 110.527 -179.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 57.45 6.06 0.36 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.486 -0.759 . . . . 0.0 109.352 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.459 ' H ' ' C ' ' A' ' 4' ' ' HIS . 96.4 m-70 -145.1 62.43 1.3 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.325 -0.86 . . . . 0.0 108.942 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -65.91 -42.69 89.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.484 -0.76 . . . . 0.0 109.506 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 30.4 p-80 -141.78 119.71 11.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.346 -0.846 . . . . 0.0 109.623 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.441 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 33.2 t -167.38 85.54 0.24 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.22 -0.925 . . . . 0.0 108.754 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 9' ' ' SER . 98.9 m-70 -155.35 -160.34 1.03 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.12 -0.988 . . . . 0.0 109.787 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.83 160.34 6.89 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -65.53 -81.01 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.597 -0.943 . . . . 0.0 109.695 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 t -75.65 147.98 39.07 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.308 -0.87 . . . . 0.0 110.485 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.504 ' OD1' ' NZ ' ' A' ' 36' ' ' LYS . 31.2 t70 -171.46 44.48 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -129.06 147.02 50.88 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.506 -0.746 . . . . 0.0 109.243 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.9 pt -137.68 154.42 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.306 -0.871 . . . . 0.0 109.33 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -112.04 129.85 56.07 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.482 -0.761 . . . . 0.0 109.329 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 m -140.96 163.82 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.214 -0.929 . . . . 0.0 109.144 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 29' ' ' ALA . 11.2 t-20 -98.35 144.37 27.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.356 -0.84 . . . . 0.0 109.029 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.3 t -122.18 133.3 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.408 -0.807 . . . . 0.0 108.99 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.3 t -134.05 152.75 51.97 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -135.47 145.0 46.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.35 -0.844 . . . . 0.0 109.98 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.7 m -60.8 -41.32 95.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.542 -0.724 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -93.26 148.8 21.72 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.979 -1.075 . . . . 0.0 110.463 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 58.7 t-20 61.23 141.87 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.6 0.714 . . . . 0.0 110.246 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 94.8 m-20 -82.47 10.6 6.89 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.87 108.3 0.84 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.886 . . . . 0.0 109.717 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.4 t -126.01 134.03 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 121.429 -0.795 . . . . 0.0 109.132 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.522 ' O ' ' ND2' ' A' ' 19' ' ' ASN . . . -101.81 145.8 28.67 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.437 -0.79 . . . . 0.0 108.904 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' GLU . 92.3 m-85 -113.18 140.09 48.22 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.409 -0.807 . . . . 0.0 110.198 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' PHE . 71.7 mm-40 36.7 73.36 0.09 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.36 0.6 . . . . 0.0 110.724 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.529 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.7 m -86.86 123.77 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.163 -0.961 . . . . 0.0 109.642 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -81.52 117.31 21.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.068 -1.02 . . . . 0.0 109.591 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -137.52 137.33 38.51 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.146 -0.971 . . . . 0.0 109.452 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.44 141.9 50.26 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.438 -0.789 . . . . 0.0 109.963 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' A' ' 14' ' ' ASP . 7.9 mtmp? -73.78 -13.72 60.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.826 . . . . 0.0 109.877 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -78.48 -1.32 33.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.325 -0.859 . . . . 0.0 109.405 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.67 142.6 35.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.193 -0.942 . . . . 0.0 110.138 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 p -86.93 169.39 12.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.253 -0.904 . . . . 0.0 109.587 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.36 -43.13 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 0.0 109.219 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.85 79.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.08 -1.013 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -64.92 -39.48 93.58 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.341 -0.849 . . . . 0.0 109.276 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.9 -41.3 99.39 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.351 -0.843 . . . . 0.0 109.413 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.03 -38.8 87.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 0.0 109.473 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.9 m -60.09 -47.51 85.59 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.188 -0.945 . . . . 0.0 109.899 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.18 -42.14 96.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.947 -1.096 . . . . 0.0 109.318 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.41 -38.66 92.0 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.278 -0.889 . . . . 0.0 108.77 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' GLY . 84.6 tt0 -53.98 -44.64 70.99 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.35 -0.843 . . . . 0.0 109.115 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 31.8 mm -67.79 -44.01 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.057 -1.027 . . . . 0.0 109.921 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.94 -43.49 87.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.075 -1.016 . . . . 0.0 111.227 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 p -93.52 -14.97 25.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.864 -1.147 . . . . 0.0 109.912 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.18 0.43 7.56 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.8 -174.44 29.72 Favored Glycine 0 N--CA 1.494 2.559 0 O-C-N 121.417 -1.049 . . . . 0.0 110.876 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -95.69 124.46 39.72 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.556 -0.967 . . . . 0.0 109.538 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.08 -13.69 61.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.277 -0.889 . . . . 0.0 110.098 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.12 -5.42 76.14 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -140.46 7.63 2.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.249 -1.147 . . . . 0.0 108.814 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.1 ttm -77.96 136.15 37.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.034 -1.042 . . . . 0.0 109.938 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -116.77 145.78 43.27 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.643 -0.661 . . . . 0.0 109.358 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.0 t -117.76 133.23 65.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -133.03 139.15 47.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.235 -0.915 . . . . 0.0 109.619 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.3 t -95.96 131.46 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.861 . . . . 0.0 109.212 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.516 ' HE1' ' HG ' ' A' ' 68' ' ' CYS . 39.1 m-85 -129.46 141.16 51.08 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.483 -0.76 . . . . 0.0 109.297 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -130.32 82.06 2.04 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.65 -98.38 2.38 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -130.67 30.68 4.63 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.433 -1.039 . . . . 0.0 109.134 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.9 t -144.39 153.79 42.32 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.091 -1.005 . . . . 0.0 109.917 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.516 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 3.6 m -93.06 134.34 35.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.372 -0.83 . . . . 0.0 109.632 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 t -91.2 -51.67 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 109.364 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.2 t -172.75 164.66 5.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.194 -0.941 . . . . 0.0 109.64 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.4 m -113.11 128.45 56.49 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.545 -0.722 . . . . 0.0 109.056 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.4 mtt -71.7 81.48 0.85 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 109.929 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 39.4 p-10 -95.48 -18.64 20.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.158 -0.963 . . . . 0.0 109.518 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 52.2 t-20 -90.28 111.09 22.16 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.062 -1.024 . . . . 0.0 110.174 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.95 -26.79 62.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.279 -0.888 . . . . 0.0 109.85 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 93.1 m-20 -81.14 -2.26 47.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.163 -0.96 . . . . 0.0 109.535 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.78 155.47 23.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.134 -0.979 . . . . 0.0 109.977 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -89.81 163.7 14.94 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.381 -0.824 . . . . 0.0 110.232 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.7 tp -62.98 -42.48 99.85 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.489 -0.757 . . . . 0.0 109.644 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.21 -1.61 50.58 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -62.63 -44.66 95.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.235 -1.156 . . . . 0.0 109.44 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -105.95 -32.11 8.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.327 -0.858 . . . . 0.0 109.636 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.36 80.35 1.69 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.367 -0.833 . . . . 0.0 109.145 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -95.08 5.81 50.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.242 -0.911 . . . . 0.0 108.897 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 90.6 p -137.03 153.36 50.65 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.349 -0.845 . . . . 0.0 110.069 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.39 168.84 13.45 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.389 -0.819 . . . . 0.0 110.376 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.32 -2.04 84.79 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.46 154.78 36.82 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.353 -1.087 . . . . 0.0 109.556 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -120.22 126.01 49.57 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -102.31 133.86 46.54 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.336 -0.852 . . . . 0.0 109.022 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -115.62 123.47 48.48 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.485 -0.76 . . . . 0.0 109.119 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.84 131.81 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.385 -0.822 . . . . 0.0 108.9 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -118.92 124.55 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.443 -0.786 . . . . 0.0 109.02 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' O ' ' OG ' ' A' ' 95' ' ' SER . 97.6 m-20 -118.65 140.72 49.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.58 -0.7 . . . . 0.0 109.69 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 94' ' ' ASP . 4.8 p . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.772 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.523 0.678 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' HIS . . . -78.79 39.53 2.0 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 2' ' ' GLY . 83.7 t60 58.66 125.54 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.695 -0.885 . . . . 0.0 110.709 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -70.91 140.52 51.03 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 121.623 0.725 . . . . 0.0 110.445 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -160.17 89.85 0.87 Allowed 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -105.02 139.31 39.9 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.49 -0.757 . . . . 0.0 109.878 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -74.42 101.64 4.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.503 -0.748 . . . . 0.0 109.889 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 73.0 m80 41.7 80.91 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.795 0.807 . . . . 0.0 109.958 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 11' ' ' GLY . 68.2 m -61.95 -41.9 98.5 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.572 0.701 . . . . 0.0 109.31 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 10' ' ' HIS . 59.6 t-80 51.42 9.35 0.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.422 -0.799 . . . . 0.0 109.284 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 9' ' ' SER . . . -100.29 -59.43 0.84 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -75.35 144.73 42.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.166 -1.197 . . . . 0.0 110.953 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.546 ' OG ' ' N ' ' A' ' 14' ' ' ASP . 64.6 p -166.3 -118.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.546 ' N ' ' OG ' ' A' ' 13' ' ' SER . 99.6 m-20 57.72 51.2 9.64 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.683 -0.635 . . . . 0.0 109.653 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.601 ' CD1' ' NZ ' ' A' ' 33' ' ' LYS . 49.1 m-85 -127.25 140.49 52.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.645 -0.659 . . . . 0.0 109.883 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.6 pt -128.58 153.88 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -115.83 119.74 36.98 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.642 0.734 . . . . 0.0 109.219 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.17 164.72 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.486 -0.759 . . . . 0.0 109.423 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -93.41 144.19 25.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.425 -0.797 . . . . 0.0 109.516 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.8 t -123.2 133.22 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 CA-C-O 121.481 0.658 . . . . 0.0 109.347 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.0 p -139.12 163.99 30.97 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -147.99 163.64 36.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 0.0 109.82 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -68.52 147.18 52.36 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.542 -0.723 . . . . 0.0 110.319 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 25' ' ' ASN . 59.8 m80 58.93 172.8 0.07 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.438 0.637 . . . . 0.0 110.338 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' HIS . 98.9 m-20 57.95 147.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.635 0.731 . . . . 0.0 110.636 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -94.95 2.8 55.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.331 -0.855 . . . . 0.0 108.827 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 107.18 0.6 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 109.662 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -130.47 134.17 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.511 -0.743 . . . . 0.0 109.739 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.63 153.48 22.83 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.609 -0.682 . . . . 0.0 109.182 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -128.38 151.03 49.82 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.76 0.791 . . . . 0.0 110.619 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 41.29 60.9 1.94 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.294 0.568 . . . . 0.0 110.78 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 32' ' ' VAL . 3.3 m -78.1 127.72 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 121.037 -1.039 . . . . 0.0 109.625 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.601 ' NZ ' ' CD1' ' A' ' 15' ' ' PHE . 65.2 tttm -88.78 116.39 27.01 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 110.08 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.9 mt -134.94 135.57 41.6 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.54 -0.725 . . . . 0.0 109.351 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 143.77 52.77 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.726 0.774 . . . . 0.0 109.987 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.63 -30.25 70.48 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.666 -0.646 . . . . 0.0 109.799 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.96 -0.67 9.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.593 -0.692 . . . . 0.0 109.962 -178.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.9 mt -75.74 136.89 40.31 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.036 -1.04 . . . . 0.0 109.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.7 p -86.44 167.89 14.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.461 -0.774 . . . . 0.0 110.279 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.24 -43.86 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.647 -0.658 . . . . 0.0 109.913 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.57 95.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.08 -1.012 . . . . 0.0 109.362 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -64.71 -37.91 89.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 0.0 109.212 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.441 HD22 HD13 ' A' ' 79' ' ' LEU . 55.2 tp -63.16 -40.17 96.76 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.324 -0.86 . . . . 0.0 109.423 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.17 -38.81 90.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.873 . . . . 0.0 109.642 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -60.05 -45.51 92.63 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.143 -0.973 . . . . 0.0 109.066 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.25 -43.2 98.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.866 . . . . 0.0 109.024 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.12 -38.84 91.93 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.476 -0.765 . . . . 0.0 109.382 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 52' ' ' GLY . 83.6 tt0 -53.43 -47.68 69.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.929 . . . . 0.0 109.429 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.43 -43.66 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.135 -0.978 . . . . 0.0 109.068 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.6 -42.11 98.27 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.499 -0.75 . . . . 0.0 110.292 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.512 ' C ' ' H ' ' A' ' 53' ' ' GLY . 59.0 p -92.18 -16.72 25.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 109.285 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.89 -8.77 0.81 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -75.4 -173.1 32.74 Favored Glycine 0 N--CA 1.492 2.413 0 O-C-N 121.278 -1.131 . . . . 0.0 110.915 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.5 t -87.64 126.07 34.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.492 -1.005 . . . . 0.0 109.957 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.69 85.19 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.535 0.683 . . . . 0.0 109.842 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.55 97.38 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 57' ' ' THR . 91.1 m -91.6 -2.18 57.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.019 -1.283 . . . . 0.0 109.215 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttm -81.98 142.47 32.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.352 -0.843 . . . . 0.0 109.752 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -128.08 143.35 51.06 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.594 -0.691 . . . . 0.0 109.15 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.541 HG11 ' SD ' ' A' ' 72' ' ' MET . 56.0 t -113.09 133.55 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 109.474 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -133.45 151.19 51.76 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.617 -0.677 . . . . 0.0 109.197 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.3 t -102.85 127.63 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.605 -0.685 . . . . 0.0 109.34 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -134.97 147.28 49.7 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.563 0.697 . . . . 0.0 109.65 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -133.0 80.41 1.89 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.08 -93.21 1.87 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 59.0 t0 -136.28 18.91 3.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.382 -1.069 . . . . 0.0 108.8 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.3 m -124.23 132.14 53.57 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 121.702 0.763 . . . . 0.0 110.266 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.1 t -80.56 134.04 35.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.602 -0.686 . . . . 0.0 110.365 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.8 t -98.2 -61.97 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.427 -0.796 . . . . 0.0 109.257 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.0 p -168.33 163.78 12.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.733 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.1 m -111.72 127.15 55.69 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.529 -0.732 . . . . 0.0 109.752 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.541 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.9 mtt -64.08 82.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.608 0.718 . . . . 0.0 110.385 -179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.9 t0 -96.98 -24.78 15.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.426 -0.796 . . . . 0.0 109.114 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -85.14 105.5 15.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.198 -0.939 . . . . 0.0 110.48 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.02 -32.91 73.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.582 -0.699 . . . . 0.0 109.22 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -74.26 -2.58 25.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.555 -0.716 . . . . 0.0 109.542 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.46 153.15 22.09 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.23 -0.919 . . . . 0.0 110.719 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -85.97 161.35 19.04 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.634 0.73 . . . . 0.0 110.664 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.441 HD13 HD22 ' A' ' 43' ' ' LEU . 38.6 tp -64.31 -42.43 96.34 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.534 -0.729 . . . . 0.0 109.535 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.93 -4.47 58.89 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -63.01 -45.77 90.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.474 -1.015 . . . . 0.0 109.533 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -104.87 -28.66 10.99 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.42 -0.8 . . . . 0.0 109.321 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.32 68.46 0.81 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.399 -0.813 . . . . 0.0 109.132 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -91.37 5.2 50.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.404 -0.81 . . . . 0.0 109.142 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 71.5 m -136.19 147.24 47.57 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.338 -0.851 . . . . 0.0 109.784 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -85.93 170.15 12.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.576 -0.702 . . . . 0.0 110.374 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.29 -3.28 86.73 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.32 159.56 30.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.21 -1.171 . . . . 0.0 110.146 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -122.37 127.41 49.71 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 121.588 0.708 . . . . 0.0 109.229 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -104.84 136.95 43.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.628 -0.67 . . . . 0.0 109.194 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -118.91 131.76 56.06 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.669 -0.645 . . . . 0.0 109.483 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.7 t -106.14 130.66 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.7 t -111.67 113.22 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -127.86 107.31 9.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.658 -0.651 . . . . 0.0 109.543 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.115 -0.945 . . . . 0.0 108.871 179.656 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.26 0.553 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 4' ' ' HIS . . . 83.59 1.07 90.14 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.7 m80 40.94 -91.31 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.693 -0.887 . . . . 0.0 110.387 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 2' ' ' GLY . 80.5 m80 -137.92 153.87 49.47 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.399 -0.813 . . . . 0.0 109.576 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -73.33 145.56 45.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.511 -0.743 . . . . 0.0 110.077 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -81.72 -10.7 59.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.413 -0.804 . . . . 0.0 109.138 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -73.47 132.02 42.45 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.405 -0.809 . . . . 0.0 109.805 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.452 ' O ' ' CB ' ' A' ' 9' ' ' SER . 73.4 m80 -77.44 -175.46 3.77 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.378 -0.826 . . . . 0.0 110.518 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 8' ' ' HIS . 2.0 p 74.31 -53.57 0.68 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.597 -0.689 . . . . 0.0 109.56 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.407 ' N ' ' OG ' ' A' ' 9' ' ' SER . 58.5 m170 -61.54 -45.6 93.49 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.128 -0.982 . . . . 0.0 109.615 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.97 142.82 20.14 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -84.18 137.29 33.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.401 -1.058 . . . . 0.0 109.614 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.5 t -112.46 124.06 51.66 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.473 -0.767 . . . . 0.0 108.967 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -127.19 38.39 4.09 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -124.44 150.15 45.99 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 pt -126.27 150.73 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.581 -0.699 . . . . 0.0 109.464 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -95.75 114.23 25.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.449 -0.782 . . . . 0.0 109.159 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.36 163.27 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.466 -0.771 . . . . 0.0 109.613 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -106.16 144.89 32.21 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.86 133.33 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.481 -0.762 . . . . 0.0 108.978 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.4 p -142.77 163.09 33.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.292 -0.88 . . . . 0.0 109.492 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -132.95 155.82 48.41 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.329 -0.857 . . . . 0.0 109.634 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.533 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 40.4 m -84.61 -75.02 0.36 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.477 -0.765 . . . . 0.0 109.601 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -63.46 -44.31 94.86 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.9 . . . . 0.0 109.72 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -79.07 155.65 28.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.965 . . . . 0.0 109.847 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -108.27 19.01 20.42 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.89 112.8 17.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.126 -0.984 . . . . 0.0 108.986 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.1 t -126.12 131.56 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.542 -0.724 . . . . 0.0 109.238 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.25 130.27 56.86 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' GLU . 96.0 m-85 -99.85 145.12 28.11 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.396 -0.815 . . . . 0.0 110.485 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' PHE . 6.6 mt-10 38.69 61.36 1.21 Allowed 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.264 0.554 . . . . 0.0 109.99 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.7 p -94.25 129.99 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.092 -1.005 . . . . 0.0 109.64 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -83.61 130.44 34.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 0.0 110.037 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.2 mt -135.79 131.74 35.84 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.05 132.97 48.96 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.277 -0.89 . . . . 0.0 109.607 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -75.55 -14.98 60.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.566 -0.709 . . . . 0.0 109.462 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.14 -2.8 49.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.42 -0.8 . . . . 0.0 109.833 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.3 mt -78.93 145.79 33.85 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 110.17 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 p -84.45 169.11 14.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.403 -0.81 . . . . 0.0 110.107 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.51 HG12 ' HZ2' ' A' ' 44' ' ' LYS . 48.1 t -61.67 -44.92 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.464 -0.773 . . . . 0.0 109.349 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.71 80.67 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.273 -0.892 . . . . 0.0 109.146 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.07 -38.59 91.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.23 -0.919 . . . . 0.0 109.18 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.39 -42.08 99.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.329 -0.857 . . . . 0.0 109.547 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.51 ' HZ2' HG12 ' A' ' 40' ' ' VAL . 60.2 mttp -61.17 -39.49 90.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.132 -0.98 . . . . 0.0 109.633 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.0 m -60.01 -47.03 87.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.115 -0.991 . . . . 0.0 109.036 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -63.25 -43.13 98.9 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.266 -0.896 . . . . 0.0 109.173 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.41 -38.6 91.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.326 -0.859 . . . . 0.0 109.128 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 52' ' ' GLY . 47.1 tp10 -53.57 -45.67 70.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.506 -0.746 . . . . 0.0 109.541 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.9 mm -64.82 -47.14 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.024 -1.048 . . . . 0.0 109.91 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.71 -42.22 86.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.275 -0.891 . . . . 0.0 110.98 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.9 p -87.31 -33.44 19.21 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.886 -1.134 . . . . 0.0 109.867 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 71.92 6.55 64.09 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.465 ' O ' ' OE2' ' A' ' 48' ' ' GLU . . . -77.83 -128.18 0.42 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.458 ' O ' ' SD ' ' A' ' 58' ' ' MET . 8.4 t -135.81 123.82 22.83 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.485 -1.009 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.07 -39.48 82.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 110.172 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.96 -43.94 70.53 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.163 -1.017 . . . . 0.0 110.905 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.3 m -86.09 -1.79 57.72 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.818 -1.401 . . . . 0.0 110.145 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.458 ' SD ' ' O ' ' A' ' 54' ' ' CYS . 24.1 mtp -86.2 146.64 26.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.212 -0.93 . . . . 0.0 110.357 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -132.19 117.81 18.73 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.7 t -101.74 133.58 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.45 140.99 49.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.584 -0.698 . . . . 0.0 109.233 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -91.18 132.09 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.41 -0.806 . . . . 0.0 109.389 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.65 145.81 51.05 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.905 0.859 . . . . 0.0 109.977 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -143.47 90.9 2.2 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.54 -129.06 13.6 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.2 p30 -97.03 10.59 38.84 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.237 -1.154 . . . . 0.0 110.201 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.1 m -125.35 130.84 52.74 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.354 -0.841 . . . . 0.0 109.639 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 p -86.67 123.86 32.31 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.332 -0.855 . . . . 0.0 109.557 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' SER . 69.4 t -64.46 -46.3 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.188 -0.945 . . . . 0.0 109.658 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 163.9 171.85 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.487 -0.758 . . . . 0.0 109.068 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.6 m -108.93 135.75 49.61 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.462 -0.774 . . . . 0.0 109.207 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.3 mtt -75.72 124.1 26.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.35 -0.844 . . . . 0.0 109.53 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -140.12 -27.95 0.74 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.544 -0.722 . . . . 0.0 109.976 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -87.91 110.34 20.47 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.091 -1.006 . . . . 0.0 110.317 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 54.4 t-20 -64.98 -36.17 83.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.457 -0.777 . . . . 0.0 109.443 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.92 -1.01 1.75 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.254 -0.904 . . . . 0.0 109.636 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.97 148.73 21.76 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.225 -0.922 . . . . 0.0 109.589 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -89.13 161.36 16.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.314 -0.866 . . . . 0.0 110.188 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.35 -41.86 98.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.445 -0.785 . . . . 0.0 109.524 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.12 -4.62 56.45 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -62.11 -45.77 92.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.247 -1.149 . . . . 0.0 109.124 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -105.09 -28.59 10.93 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.47 -0.769 . . . . 0.0 109.591 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.63 72.9 0.93 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.454 -0.779 . . . . 0.0 109.455 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.5 p30 -101.84 12.13 37.52 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.4 -0.812 . . . . 0.0 109.386 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.1 t -138.12 147.45 43.97 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.453 -0.779 . . . . 0.0 109.514 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -82.58 166.54 19.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.838 . . . . 0.0 110.132 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.88 -1.98 83.81 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.5 mt -76.93 155.58 32.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.309 -1.112 . . . . 0.0 109.489 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -123.07 134.18 54.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.564 -0.71 . . . . 0.0 109.449 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.4 mt -105.28 127.62 53.04 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.533 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 79.3 t60 -114.06 117.82 32.35 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.618 -0.676 . . . . 0.0 109.64 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -87.19 124.42 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.8 t -111.13 109.95 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.587 -0.696 . . . . 0.0 109.188 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -99.49 112.58 24.76 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.539 -0.726 . . . . 0.0 109.489 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.488 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.547 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 37.3 ttm . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.92 4.66 89.92 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.547 ' ND1' ' N ' ' A' ' 1' ' ' MET . 26.3 p-80 -88.84 -11.48 44.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.443 -1.033 . . . . 0.0 109.411 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -67.12 137.74 56.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.354 -0.841 . . . . 0.0 109.779 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -88.6 142.81 27.39 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.411 -0.806 . . . . 0.0 109.771 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -119.6 125.96 50.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.639 -0.663 . . . . 0.0 109.501 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -81.04 137.16 36.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.354 -0.842 . . . . 0.0 109.854 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -87.26 68.14 9.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.39 -0.819 . . . . 0.0 109.389 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.2 p -86.46 -5.38 59.17 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.445 -0.785 . . . . 0.0 109.442 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -73.04 151.32 41.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.344 -0.847 . . . . 0.0 109.96 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.16 -98.2 2.35 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -73.79 148.2 42.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.362 -1.081 . . . . 0.0 110.482 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 m 53.01 102.59 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.677 -0.639 . . . . 0.0 109.945 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -87.57 88.56 7.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.473 -0.767 . . . . 0.0 109.752 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -141.08 146.88 37.7 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.439 -0.788 . . . . 0.0 109.485 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.0 pt -138.04 160.73 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.469 -0.769 . . . . 0.0 109.485 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -109.58 122.23 46.97 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -136.87 161.91 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.443 -0.785 . . . . 0.0 109.289 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -102.7 144.77 30.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.685 . . . . 0.0 109.433 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.9 t -121.23 131.42 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.8 t -135.47 149.42 49.55 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.516 HD22 HG22 ' A' ' 51' ' ' THR . 40.0 p30 -133.85 151.88 51.68 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.279 -0.888 . . . . 0.0 109.565 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 25' ' ' ASN . 16.8 p -77.22 168.85 19.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.629 -0.669 . . . . 0.0 110.116 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.9 m80 57.91 -70.79 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 121.205 0.526 . . . . 0.0 110.587 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 23' ' ' SER . 99.8 m-20 -62.04 143.44 56.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.276 -0.89 . . . . 0.0 110.47 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -94.11 3.81 54.77 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.483 -0.761 . . . . 0.0 109.05 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.32 116.3 12.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -0.779 . . . . 0.0 109.768 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.24 133.55 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.47 137.69 44.01 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -114.0 147.11 39.18 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.493 -0.755 . . . . 0.0 110.816 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 43.7 68.56 0.51 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.719 -0.613 . . . . 0.0 110.778 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.508 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.1 p -94.91 123.41 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -83.79 118.18 23.76 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.155 -0.965 . . . . 0.0 109.83 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.2 mt -135.23 134.31 39.91 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.531 -0.731 . . . . 0.0 109.222 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 141.35 53.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.42 -0.8 . . . . 0.0 109.653 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -70.8 -14.7 62.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.47 -0.769 . . . . 0.0 109.929 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -80.87 -0.36 38.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.487 -0.758 . . . . 0.0 109.944 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.42 143.73 38.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.173 -0.954 . . . . 0.0 109.997 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.6 p -86.15 165.47 16.54 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.615 0.722 . . . . 0.0 110.161 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.86 -43.78 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.679 -0.638 . . . . 0.0 109.35 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.63 89.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.469 -0.77 . . . . 0.0 109.506 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -64.11 -37.21 86.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.321 -0.862 . . . . 0.0 109.093 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.27 -41.06 98.15 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.48 -37.65 81.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.407 -0.808 . . . . 0.0 109.261 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.5 m -59.62 -47.71 84.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.341 -0.849 . . . . 0.0 109.284 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.88 -43.41 98.87 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.426 -0.796 . . . . 0.0 109.065 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.18 -39.6 94.34 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.1 tt0 -50.79 -49.58 58.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.392 -0.817 . . . . 0.0 109.011 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.39 -43.31 94.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.362 -0.836 . . . . 0.0 109.845 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -62.49 -45.26 93.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.379 -0.826 . . . . 0.0 110.253 -178.571 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.516 HG22 HD22 ' A' ' 22' ' ' ASN . 34.2 p -93.78 -14.33 26.34 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.84 -1.162 . . . . 0.0 109.648 -179.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.62 -6.37 1.34 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -72.48 -178.32 32.61 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.6 t -86.71 126.17 34.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.556 -0.967 . . . . 0.0 110.008 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.39 -35.68 81.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.534 -0.729 . . . . 0.0 109.989 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.16 -35.23 91.22 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.3 p -97.76 1.05 47.99 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.201 -1.176 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.0 ttm -81.71 141.16 33.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.81 . . . . 0.0 109.909 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -125.01 144.08 50.57 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.469 HG11 ' SD ' ' A' ' 72' ' ' MET . 52.0 t -115.39 131.41 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -131.98 130.01 40.91 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.23 133.3 30.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 109.514 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -126.66 137.02 53.23 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.526 0.679 . . . . 0.0 109.331 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -131.35 89.6 2.74 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.64 -108.41 3.6 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -121.69 -4.54 9.21 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.67 -0.9 . . . . 0.0 109.981 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.3 m -121.69 140.2 52.6 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.527 -0.733 . . . . 0.0 110.564 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -75.02 147.06 41.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.74 -0.6 . . . . 0.0 109.442 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 ' N ' ' A' ' 70' ' ' SER . 35.0 m -106.87 -45.3 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.531 -0.731 . . . . 0.0 109.729 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.546 ' N ' HG23 ' A' ' 69' ' ' VAL . 92.0 p -162.79 162.54 26.65 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.138 -0.976 . . . . 0.0 109.824 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ASP . 90.3 m -117.2 130.4 56.56 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.469 ' SD ' HG11 ' A' ' 60' ' ' VAL . 67.1 mtt -62.7 69.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.44 -0.787 . . . . 0.0 110.403 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' THR . 99.7 m-20 -64.66 -39.4 93.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.495 -0.753 . . . . 0.0 109.633 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -86.08 112.35 21.19 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.426 -0.796 . . . . 0.0 109.888 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 55.4 p30 -74.73 -14.15 60.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.422 -0.799 . . . . 0.0 109.689 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 94.7 m-20 -89.31 -1.97 58.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.354 -0.841 . . . . 0.0 109.534 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.63 156.16 32.91 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.327 -0.858 . . . . 0.0 110.033 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -85.64 162.14 18.95 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.56 -0.712 . . . . 0.0 110.287 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.1 -42.36 99.57 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.647 -0.658 . . . . 0.0 109.948 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.24 -5.03 75.44 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -62.86 -44.33 96.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -1.182 . . . . 0.0 109.205 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -101.85 -45.54 5.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.403 -0.811 . . . . 0.0 109.792 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.89 86.44 5.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.24 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' A' ' 84' ' ' ASN . 0.8 OUTLIER -102.15 8.58 40.63 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.5 t -135.98 146.92 47.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.465 -0.772 . . . . 0.0 109.353 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -81.14 166.81 20.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.495 -0.753 . . . . 0.0 110.611 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.56 -8.13 80.28 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.0 mt -78.06 158.59 29.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.461 -1.023 . . . . 0.0 109.679 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -130.66 143.89 51.05 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -107.72 126.12 52.22 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.549 -0.719 . . . . 0.0 109.285 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -98.08 128.09 44.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.468 -0.77 . . . . 0.0 109.366 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.4 131.06 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.487 -0.758 . . . . 0.0 108.991 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.8 t -115.16 130.08 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.606 -0.684 . . . . 0.0 109.22 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -126.15 108.05 10.96 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 121.392 0.615 . . . . 0.0 109.553 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.169 179.687 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.251 0.548 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.22 7.62 1.47 Allowed Glycine 0 N--CA 1.495 2.579 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -79.84 128.98 34.09 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.455 -1.026 . . . . 0.0 110.299 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -91.71 6.02 47.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.447 -0.783 . . . . 0.0 109.031 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 72.4 m80 41.56 -134.42 0.31 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.632 -0.668 . . . . 0.0 110.476 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -152.38 166.74 30.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.333 -0.854 . . . . 0.0 109.649 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -53.78 149.04 9.08 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.885 . . . . 0.0 110.437 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -67.51 136.61 54.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.581 -0.7 . . . . 0.0 110.051 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.456 ' C ' ' H ' ' A' ' 11' ' ' GLY . 68.3 m -147.08 98.42 3.03 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.268 -0.895 . . . . 0.0 109.014 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.421 ' CG ' ' O ' ' A' ' 10' ' ' HIS . 82.7 t60 51.87 9.46 0.08 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.26 -0.9 . . . . 0.0 109.394 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 9' ' ' SER . . . -83.06 125.11 6.82 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -85.15 133.75 34.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -1.078 . . . . 0.0 109.99 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 m -78.51 154.31 30.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.902 . . . . 0.0 110.208 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -75.12 -3.72 34.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.452 -0.78 . . . . 0.0 109.86 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -112.65 144.21 42.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.496 -0.753 . . . . 0.0 109.363 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.3 pt -125.57 155.05 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.526 -0.734 . . . . 0.0 109.585 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -105.4 117.52 34.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.505 -0.747 . . . . 0.0 109.51 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -136.48 163.61 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.44 -0.787 . . . . 0.0 109.096 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -101.39 144.61 29.99 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.526 -0.734 . . . . 0.0 109.287 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.48 135.5 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 121.34 -0.85 . . . . 0.0 109.081 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.8 t -134.55 175.28 9.68 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 27' ' ' ALA . 2.4 p30 -146.64 162.06 39.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.191 -0.943 . . . . 0.0 109.568 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -88.74 -76.72 0.39 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.56 -0.713 . . . . 0.0 110.51 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -60.64 -47.21 87.23 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.336 -0.852 . . . . 0.0 110.362 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 60.2 t-20 -75.41 144.61 42.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 0.0 110.433 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 52.0 t0 -97.3 1.95 50.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.357 -0.839 . . . . 0.0 109.266 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.507 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . -69.79 130.74 43.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.368 -0.833 . . . . 0.0 109.84 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.22 134.61 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.388 -0.82 . . . . 0.0 109.804 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.38 140.26 44.77 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -117.29 146.79 43.09 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.519 -0.738 . . . . 0.0 110.468 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 40.08 67.65 0.46 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.825 -0.547 . . . . 0.0 110.264 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.3 p -100.41 123.87 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.575 -0.703 . . . . 0.0 109.412 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -78.13 131.01 37.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.267 -0.896 . . . . 0.0 110.361 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.5 mt -138.86 125.13 20.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.371 -0.83 . . . . 0.0 108.94 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.479 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -64.35 138.82 58.62 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.379 -0.826 . . . . 0.0 109.593 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -75.94 -15.03 60.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.605 -0.684 . . . . 0.0 109.491 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -80.91 0.31 35.85 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.397 -0.815 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.479 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 88.5 mt -76.58 144.08 39.86 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.261 -0.899 . . . . 0.0 110.655 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.1 p -88.15 164.71 15.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.541 -0.724 . . . . 0.0 109.952 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.78 -44.55 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.451 -0.78 . . . . 0.0 110.033 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.48 94.44 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.125 -0.984 . . . . 0.0 109.863 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.97 -36.45 83.36 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.328 -0.857 . . . . 0.0 109.164 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.64 -41.57 99.11 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.489 -0.757 . . . . 0.0 109.263 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.18 -40.31 95.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.397 -0.815 . . . . 0.0 109.803 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.8 m -61.04 -46.41 90.8 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.132 -0.98 . . . . 0.0 109.885 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -62.92 -46.75 86.33 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.183 -0.948 . . . . 0.0 109.4 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.71 -38.55 91.38 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.422 -0.799 . . . . 0.0 109.195 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' GLY . 38.2 tt0 -51.15 -51.12 56.65 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.343 -0.848 . . . . 0.0 109.648 -179.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.46 -42.67 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.347 -0.845 . . . . 0.0 110.227 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.44 -41.61 98.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.117 -0.99 . . . . 0.0 110.201 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.488 ' C ' ' H ' ' A' ' 53' ' ' GLY . 16.1 p -91.93 -12.6 32.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.984 -1.072 . . . . 0.0 108.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.42 -8.48 1.51 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -71.03 176.4 37.12 Favored Glycine 0 N--CA 1.492 2.378 0 O-C-N 121.345 -1.091 . . . . 0.0 110.553 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.94 126.19 34.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.545 -0.973 . . . . 0.0 109.36 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.91 72.52 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.347 -0.846 . . . . 0.0 110.157 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.37 -35.54 91.56 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.6 p -98.72 -10.71 22.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.281 -1.129 . . . . 0.0 109.652 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.2 ttp -86.9 128.77 35.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.148 -0.97 . . . . 0.0 109.523 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -113.9 150.6 33.43 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.573 -0.704 . . . . 0.0 109.466 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.1 t -115.23 132.89 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -134.27 147.0 50.57 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.7 132.77 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.272 -0.893 . . . . 0.0 109.423 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -127.02 138.62 53.27 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.777 0.799 . . . . 0.0 109.781 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -141.36 101.34 3.98 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.03 -102.4 2.39 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -131.42 -3.6 3.81 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.514 -0.992 . . . . 0.0 109.585 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.0 m -116.41 139.36 50.51 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.571 -0.706 . . . . 0.0 110.59 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.75 120.35 21.8 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.442 -0.786 . . . . 0.0 109.778 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.08 -48.74 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.11 -0.994 . . . . 0.0 109.687 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.6 p -173.77 164.28 4.31 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.414 -0.804 . . . . 0.0 109.412 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.7 m -113.38 126.55 55.48 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.53 -0.732 . . . . 0.0 109.072 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.8 mtt -63.84 83.96 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.238 -0.914 . . . . 0.0 110.056 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 47.4 t0 -95.78 -24.2 16.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.328 -0.857 . . . . 0.0 109.542 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.03 112.73 21.51 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.27 -0.894 . . . . 0.0 110.384 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -74.84 -18.86 60.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.373 -0.829 . . . . 0.0 109.758 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -91.01 -1.83 57.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.322 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.81 152.31 24.69 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.352 -0.842 . . . . 0.0 110.25 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -89.88 159.98 16.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 0.0 109.99 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.03 -42.04 99.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.407 -0.808 . . . . 0.0 110.303 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.23 -21.97 68.71 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 120.25 -0.976 . . . . 0.0 111.223 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.62 -49.08 78.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.871 -1.37 . . . . 0.0 110.4 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -83.08 -44.01 15.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.153 -0.967 . . . . 0.0 110.304 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.24 138.84 36.75 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.302 -0.874 . . . . 0.0 109.95 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -155.28 22.6 0.42 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.6 t -151.56 148.65 28.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.287 -0.883 . . . . 0.0 109.767 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.1 p30 -84.25 162.2 20.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.256 -0.903 . . . . 0.0 110.232 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.86 -4.1 78.28 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.29 153.82 37.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.369 -1.077 . . . . 0.0 109.72 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -124.3 129.84 51.46 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.701 -0.625 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.3 mt -104.2 125.37 50.44 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.45 -0.781 . . . . 0.0 109.016 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -100.98 129.27 46.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.334 -0.853 . . . . 0.0 109.341 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.9 t -103.76 128.11 57.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.473 -0.767 . . . . 0.0 109.097 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.0 t -106.25 109.91 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -97.8 110.46 23.02 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.261 -0.9 . . . . 0.0 110.171 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 117.849 -1.072 . . . . 0.0 108.709 179.689 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.2 -71.24 0.18 Allowed Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -143.9 162.91 34.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.262 -1.14 . . . . 0.0 110.07 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -72.59 139.74 47.63 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.6 -0.687 . . . . 0.0 110.381 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.49 19.99 5.7 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -66.77 -40.59 88.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.449 -0.782 . . . . 0.0 109.271 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 44.7 80.67 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.621 0.724 . . . . 0.0 109.9 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.3 m80 48.34 -172.62 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.645 -0.659 . . . . 0.0 110.201 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.1 t -150.62 50.34 0.87 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -0.83 . . . . 0.0 109.036 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -144.06 138.2 28.13 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.318 -0.864 . . . . 0.0 109.508 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.01 138.66 3.85 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -78.27 147.04 34.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.455 -1.027 . . . . 0.0 110.191 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 m -67.94 147.62 52.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.468 -0.77 . . . . 0.0 110.187 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -149.05 102.41 3.25 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 35' ' ' ALA . 88.2 m-85 -126.78 140.89 52.03 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.451 HD11 ' HZ3' ' A' ' 36' ' ' LYS . 41.9 pt -132.25 164.46 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.617 -0.677 . . . . 0.0 109.872 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 52.8 mtmt -101.33 123.92 46.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.551 -0.718 . . . . 0.0 109.787 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -138.89 161.91 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.635 -0.666 . . . . 0.0 109.269 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -101.73 140.65 35.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.565 -0.709 . . . . 0.0 109.114 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.0 t -126.31 132.52 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-O 121.42 0.628 . . . . 0.0 109.372 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 m -130.68 154.74 47.61 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -136.53 140.85 43.28 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.812 0.815 . . . . 0.0 109.84 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 25' ' ' ASN . 29.2 t -72.35 161.73 30.44 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.355 0.598 . . . . 0.0 110.559 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 94' ' ' ASP . 36.2 m-70 65.64 -65.37 0.17 Allowed 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.15 0.5 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 23' ' ' SER . 63.7 t-20 -66.2 140.29 58.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.278 -0.889 . . . . 0.0 110.37 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 96.1 m-20 -89.5 -3.05 58.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.478 -0.764 . . . . 0.0 109.14 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.86 130.11 40.25 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.254 -0.904 . . . . 0.0 109.227 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.3 t -134.85 134.99 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.434 -0.791 . . . . 0.0 109.524 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.57 146.41 29.67 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.644 -0.66 . . . . 0.0 109.232 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -130.36 150.17 51.71 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.653 0.74 . . . . 0.0 110.42 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 43.28 49.33 5.84 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.358 0.599 . . . . 0.0 110.17 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 32' ' ' VAL . 11.1 p -85.66 122.17 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.278 -0.889 . . . . 0.0 109.271 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -76.71 127.22 32.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.262 -0.899 . . . . 0.0 109.994 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -134.72 133.05 39.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.577 -0.702 . . . . 0.0 109.431 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.527 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -70.72 139.01 51.02 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.713 0.768 . . . . 0.0 110.04 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' HZ3' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -76.75 -16.76 59.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.619 -0.675 . . . . 0.0 109.983 -179.799 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -81.77 -1.62 47.84 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.339 -0.851 . . . . 0.0 109.447 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.527 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 90.4 mt -77.72 144.22 37.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.145 -0.972 . . . . 0.0 110.392 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 p -85.13 170.16 13.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.51 -0.744 . . . . 0.0 110.082 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.06 -43.45 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.94 81.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.376 -0.828 . . . . 0.0 109.522 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -66.24 -39.05 89.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.314 -0.866 . . . . 0.0 109.122 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.7 tp -62.55 -42.4 99.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.467 -0.771 . . . . 0.0 109.429 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.68 -37.71 85.1 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.478 -0.764 . . . . 0.0 109.417 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.0 m -61.04 -46.78 89.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.342 -0.849 . . . . 0.0 109.369 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.27 -43.43 94.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 108.982 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 99.9 mt -64.93 -38.12 89.9 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.563 -0.711 . . . . 0.0 109.099 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 52' ' ' GLY . 42.0 tt0 -54.14 -47.94 71.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.54 -0.725 . . . . 0.0 109.38 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.87 -43.24 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.319 -0.863 . . . . 0.0 109.491 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.7 mt -63.31 -41.4 98.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.498 -0.751 . . . . 0.0 110.36 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.511 ' C ' ' H ' ' A' ' 53' ' ' GLY . 12.1 p -93.81 -14.15 26.5 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.105 -0.997 . . . . 0.0 109.205 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 64.41 -5.21 1.11 Allowed Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -76.77 -174.91 40.45 Favored Glycine 0 N--CA 1.489 2.192 0 O-C-N 121.324 -1.104 . . . . 0.0 110.722 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -89.61 127.2 35.87 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.557 -0.967 . . . . 0.0 109.374 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' HB2' ' OE1' ' A' ' 48' ' ' GLU . . . -63.39 -34.37 77.58 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.608 -0.683 . . . . 0.0 109.868 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.97 -36.27 93.06 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.3 p -96.9 -10.35 26.61 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.973 -1.31 . . . . 0.0 109.505 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttp -86.73 126.94 34.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.195 -0.941 . . . . 0.0 109.934 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -108.58 149.01 29.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.548 -0.72 . . . . 0.0 109.583 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.65 132.32 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -130.77 138.2 49.82 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.5 t -90.51 132.66 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.548 -0.72 . . . . 0.0 109.583 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -124.81 146.55 49.19 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.954 0.883 . . . . 0.0 109.772 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -147.25 99.24 3.12 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.13 -130.77 22.15 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 36.3 p-10 -99.53 10.95 40.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.48 -1.012 . . . . 0.0 109.202 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -127.27 133.81 50.13 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.549 -0.719 . . . . 0.0 110.02 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 m -83.67 128.04 34.23 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.434 -0.791 . . . . 0.0 110.206 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' SER . 93.8 t -66.7 -44.32 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.524 -0.735 . . . . 0.0 109.327 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.5 m 164.2 171.61 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.476 -0.765 . . . . 0.0 109.712 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.7 m -111.93 130.7 55.75 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.459 0.647 . . . . 0.0 109.396 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -66.34 105.74 1.52 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 110.253 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -111.96 -29.56 7.59 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -87.88 107.91 18.91 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.309 -0.869 . . . . 0.0 110.023 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.04 -35.09 77.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.695 -0.628 . . . . 0.0 110.002 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -73.45 -1.01 16.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.285 -0.884 . . . . 0.0 110.018 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.02 157.27 20.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.099 -1.001 . . . . 0.0 110.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -86.09 157.97 19.92 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.677 0.751 . . . . 0.0 110.665 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.75 -41.9 99.42 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.702 -0.624 . . . . 0.0 109.689 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.91 -3.66 30.2 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -63.58 -44.09 95.07 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.207 -1.172 . . . . 0.0 109.219 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.93 -28.13 11.29 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.61 74.51 1.08 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.604 -0.685 . . . . 0.0 109.332 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -103.44 11.07 36.92 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.2 t -135.78 145.81 46.93 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.493 -0.755 . . . . 0.0 109.848 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 17' ' ' LYS . 29.0 t70 -83.27 158.56 22.2 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.53 0.681 . . . . 0.0 110.782 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.71 9.39 71.78 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.9 mt -79.23 155.33 28.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.405 -1.056 . . . . 0.0 110.438 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -120.44 128.64 53.36 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.1 mt -106.21 127.97 53.6 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -105.02 113.46 27.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.619 -0.676 . . . . 0.0 109.327 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.9 t -89.81 129.37 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.374 -0.829 . . . . 0.0 109.23 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.21 102.94 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.65 -0.656 . . . . 0.0 109.506 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.409 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 55.0 t0 -98.95 112.34 24.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.469 -0.769 . . . . 0.0 109.699 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 118.103 -0.951 . . . . 0.0 108.792 179.683 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ptt? . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.98 146.87 42.13 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -67.13 -39.3 86.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.394 -1.062 . . . . 0.0 109.391 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -65.45 -41.46 93.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.871 . . . . 0.0 109.644 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -85.05 128.24 34.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.209 -0.932 . . . . 0.0 109.894 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.458 ' O ' ' ND1' ' A' ' 6' ' ' HIS . 56.6 t-80 -149.17 26.07 0.88 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.368 -0.833 . . . . 0.0 109.095 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 8' ' ' HIS . 86.4 t60 -153.25 95.54 1.95 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.325 -0.859 . . . . 0.0 109.183 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 7' ' ' HIS . 76.6 t60 41.53 92.61 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.57 -0.706 . . . . 0.0 109.793 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -64.06 147.81 51.27 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.31 -0.869 . . . . 0.0 110.539 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 55.13 99.93 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.513 -0.742 . . . . 0.0 109.856 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.4 110.68 3.08 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -64.66 -44.27 90.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.397 -1.061 . . . . 0.0 109.513 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.5 m -95.02 95.37 8.56 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.272 -0.892 . . . . 0.0 109.765 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -107.8 19.13 20.5 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.562 -0.711 . . . . 0.0 109.246 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.513 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -124.58 159.55 30.43 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.831 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.0 pt -125.1 159.84 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.58 -0.7 . . . . 0.0 109.502 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -95.91 117.99 31.67 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.467 -0.77 . . . . 0.0 109.192 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -141.42 163.72 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.374 -0.829 . . . . 0.0 109.732 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -109.08 148.43 30.84 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.6 t -122.36 131.99 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.339 -0.851 . . . . 0.0 108.971 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.7 m -131.34 158.06 41.7 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 23' ' ' SER . 58.3 t-20 -132.86 132.23 41.87 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.479 -0.763 . . . . 0.0 109.535 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 11.4 t -62.07 -42.96 99.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.618 -0.676 . . . . 0.0 109.757 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.532 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 42.2 m80 -74.87 -98.31 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.281 -0.887 . . . . 0.0 110.874 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.69 ' C ' HD21 ' A' ' 25' ' ' ASN . 0.2 OUTLIER -55.85 156.71 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 110.22 -178.536 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 34.5 p-10 -89.47 4.74 48.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.543 -0.723 . . . . 0.0 109.266 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.23 111.43 0.96 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.279 -0.888 . . . . 0.0 109.154 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.7 t -124.94 132.42 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.547 -0.721 . . . . 0.0 109.29 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.92 136.85 41.99 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -113.07 134.83 54.35 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.517 -0.739 . . . . 0.0 110.123 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 54.4 50.9 15.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.664 -0.647 . . . . 0.0 110.741 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 32' ' ' VAL . 8.5 p -91.82 122.55 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.058 -1.026 . . . . 0.0 108.466 178.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -90.36 137.67 32.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.16 -0.963 . . . . 0.0 110.002 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.2 mt -136.45 143.33 43.82 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.434 -0.791 . . . . 0.0 109.406 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.5 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -72.73 132.46 43.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 0.0 109.597 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' A' ' 38' ' ' LEU . 54.0 mtmt -65.32 -38.53 90.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.4 -0.812 . . . . 0.0 110.22 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -61.33 1.22 0.21 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.473 -0.767 . . . . 0.0 110.269 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.5 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 98.7 mt -76.88 142.8 40.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.124 -0.985 . . . . 0.0 109.555 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.4 p -84.88 164.14 18.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.357 -0.84 . . . . 0.0 110.114 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.97 -43.8 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.627 -0.67 . . . . 0.0 109.642 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.53 94.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.0 109.553 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.6 -37.2 85.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.157 -0.965 . . . . 0.0 109.106 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.485 HD22 HD13 ' A' ' 79' ' ' LEU . 47.0 tp -62.24 -42.15 99.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.316 -0.865 . . . . 0.0 109.303 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.19 -39.53 90.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.261 -0.899 . . . . 0.0 109.312 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -60.76 -46.57 89.93 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.404 -0.81 . . . . 0.0 109.592 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.78 -44.04 94.55 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.223 -0.923 . . . . 0.0 109.241 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.97 -39.8 94.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.323 -0.861 . . . . 0.0 108.933 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.6 tt0 -49.72 -49.2 48.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.413 -0.804 . . . . 0.0 109.028 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.58 -43.35 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 109.313 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.74 -42.65 99.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.347 -0.846 . . . . 0.0 110.366 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.8 p -93.78 -15.08 25.5 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.911 -1.118 . . . . 0.0 109.908 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.25 7.52 39.0 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.82 -162.06 34.67 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -102.3 128.53 48.81 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.464 -1.021 . . . . 0.0 109.909 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.27 83.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.379 -0.826 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.75 93.16 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.3 p -96.86 6.04 49.41 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.089 -1.242 . . . . 0.0 108.951 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 53.4 ttm -82.18 137.51 34.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.414 -0.804 . . . . 0.0 110.095 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -129.7 143.23 50.72 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.522 HG11 ' SD ' ' A' ' 72' ' ' MET . 50.7 t -115.15 132.35 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -130.06 127.23 39.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.588 -0.695 . . . . 0.0 109.402 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.79 131.6 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.452 -0.78 . . . . 0.0 109.751 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -128.96 144.73 51.27 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 121.554 0.692 . . . . 0.0 109.749 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -146.31 80.72 1.57 Allowed 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.57 -133.38 11.7 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -96.54 5.41 50.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.261 -1.14 . . . . 0.0 109.932 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.7 m -125.34 135.71 52.73 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.452 -0.78 . . . . 0.0 110.037 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -79.01 132.52 36.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.454 -0.779 . . . . 0.0 109.809 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -74.14 -54.62 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.141 -0.974 . . . . 0.0 109.634 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 p -173.64 166.55 4.56 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.362 -0.836 . . . . 0.0 109.437 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 85.9 m -114.13 130.36 56.59 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.522 -0.736 . . . . 0.0 109.25 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.522 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.2 mtt -70.89 85.88 0.69 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 0.0 109.657 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 73' ' ' ASP . 66.6 t0 -94.5 -23.48 17.68 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.475 -0.766 . . . . 0.0 109.628 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 77' ' ' ALA . 25.0 t-20 -91.87 106.74 18.7 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.147 -0.971 . . . . 0.0 110.211 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -69.5 -25.23 63.95 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.339 -0.85 . . . . 0.0 109.308 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -79.07 -2.61 41.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.41 -0.806 . . . . 0.0 109.793 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 74' ' ' ASN . . . -87.01 155.64 20.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.202 -0.937 . . . . 0.0 109.996 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -83.06 160.42 21.94 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.288 -0.882 . . . . 0.0 110.088 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.485 HD13 HD22 ' A' ' 43' ' ' LEU . 42.1 tp -62.66 -43.12 99.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.369 -0.832 . . . . 0.0 109.513 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.49 -3.49 58.27 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -61.77 -44.64 96.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -1.172 . . . . 0.0 109.06 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -103.79 -27.09 12.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.427 -0.796 . . . . 0.0 109.265 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.84 96.46 9.35 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.351 -0.843 . . . . 0.0 109.635 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -134.37 68.73 1.47 Allowed 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.4 t -172.69 -129.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 50.2 p-10 -172.74 142.66 1.19 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.247 -0.908 . . . . 0.0 109.507 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.54 15.76 67.77 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.09 155.75 36.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.294 -1.121 . . . . 0.0 109.696 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -115.01 124.57 51.99 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -106.06 129.52 54.15 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.083 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -110.28 121.36 45.09 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 74.9 t -94.95 131.55 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.44 -0.788 . . . . 0.0 108.977 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.6 t -125.12 116.35 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.627 -0.67 . . . . 0.0 109.232 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.532 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 41.4 p-10 -109.55 129.4 55.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.571 -0.706 . . . . 0.0 109.433 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.477 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 50.7 p-10 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.483 0.658 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -136.55 151.09 49.02 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.4 pt -125.97 149.63 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -99.84 118.77 37.0 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.427 -0.795 . . . . 0.0 109.374 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.4 m -139.2 164.13 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.557 -0.714 . . . . 0.0 109.455 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -101.07 139.76 36.31 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.0 131.38 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.3 t -134.99 148.5 49.99 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -111.99 147.05 36.76 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.533 0.683 . . . . 0.0 109.877 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 t -79.87 -74.91 0.28 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.515 -0.74 . . . . 0.0 110.301 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -77.96 53.62 1.19 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.352 -0.842 . . . . 0.0 110.644 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 61.7 t-20 -172.16 140.22 1.15 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.197 -0.939 . . . . 0.0 109.51 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.513 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 35.5 p-10 -85.8 1.1 51.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.338 -0.851 . . . . 0.0 109.583 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.78 122.18 25.72 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.329 -0.857 . . . . 0.0 109.503 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.424 HG11 ' CZ ' ' A' ' 30' ' ' PHE . 95.5 t -131.65 133.88 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.559 -0.713 . . . . 0.0 109.22 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.52 126.42 52.9 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CZ ' HG11 ' A' ' 28' ' ' VAL . 60.6 m-85 -110.77 146.22 36.73 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.542 -0.724 . . . . 0.0 110.269 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 53.82 57.76 5.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.716 -0.615 . . . . 0.0 109.895 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 32' ' ' VAL . 9.8 p -102.06 123.25 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.31 -0.869 . . . . 0.0 108.897 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -94.14 136.74 34.1 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.246 -0.909 . . . . 0.0 109.546 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.7 mt -134.67 141.41 46.55 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.443 -0.786 . . . . 0.0 109.373 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.458 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -68.77 141.7 55.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.496 -0.752 . . . . 0.0 109.512 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -75.53 -16.26 60.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.422 -0.799 . . . . 0.0 109.854 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -80.81 -0.79 40.35 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.474 -0.766 . . . . 0.0 109.567 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 90.4 mt -76.75 142.29 40.47 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.213 -0.929 . . . . 0.0 109.841 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.1 p -87.48 167.47 13.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.543 -0.723 . . . . 0.0 109.809 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.569 ' CG1' ' NZ ' ' A' ' 44' ' ' LYS . 53.5 t -63.78 -44.44 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.525 -0.734 . . . . 0.0 109.297 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.21 87.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -0.923 . . . . 0.0 108.849 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' OG1' ' A' ' 45' ' ' THR . 95.9 mm-40 -65.15 -39.46 93.01 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.213 -0.93 . . . . 0.0 108.768 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.28 -43.38 98.09 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.156 -0.965 . . . . 0.0 109.223 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.569 ' NZ ' ' CG1' ' A' ' 40' ' ' VAL . 59.0 mttp -62.52 -40.72 97.66 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.289 -0.882 . . . . 0.0 109.717 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 19.2 p -63.24 -44.58 94.81 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.12 -0.987 . . . . 0.0 109.444 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.84 -46.09 86.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.227 -0.921 . . . . 0.0 109.371 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.0 -38.27 85.68 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 0.0 109.524 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 52' ' ' GLY . 83.3 tt0 -52.27 -47.9 65.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.895 . . . . 0.0 109.099 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.63 -43.63 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.0 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.1 -41.76 99.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.532 -0.73 . . . . 0.0 110.242 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.2 p -92.76 -16.95 24.79 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.949 -1.094 . . . . 0.0 109.764 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.66 5.12 36.05 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.04 -170.42 35.95 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 37.3 m -100.31 119.36 38.29 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.491 -1.005 . . . . 0.0 109.535 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.64 67.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.378 -0.826 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.59 -13.67 83.24 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.8 p -123.51 -3.83 8.31 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.441 -1.035 . . . . 0.0 109.103 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.8 ttp -89.57 128.28 36.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.395 -0.816 . . . . 0.0 109.905 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -114.57 148.64 37.73 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.6 t -118.35 132.01 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -130.83 145.5 52.0 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.4 t -93.79 131.0 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.537 -0.727 . . . . 0.0 109.448 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -126.59 137.66 53.36 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.573 0.701 . . . . 0.0 109.896 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -138.36 80.76 1.81 Allowed 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.99 -130.72 10.42 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 34.8 p-10 -98.69 6.87 46.69 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.364 -1.08 . . . . 0.0 110.038 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.9 m -126.31 132.77 51.56 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.487 -0.758 . . . . 0.0 109.84 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -80.43 130.69 35.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.396 -0.815 . . . . 0.0 109.686 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.1 t -72.57 -53.15 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.154 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.2 t -174.28 166.75 4.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.394 -0.816 . . . . 0.0 109.596 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.3 m -115.99 128.44 55.74 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.2 90.01 0.09 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.848 . . . . 0.0 109.997 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 40.1 p-10 -95.79 -29.77 14.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.442 -0.787 . . . . 0.0 109.816 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.518 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 13.7 t-20 -89.67 108.45 19.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.259 -0.9 . . . . 0.0 109.831 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.488 ' C ' ' H ' ' A' ' 77' ' ' ALA . 99.0 m-20 -63.86 -38.57 91.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.471 -0.768 . . . . 0.0 109.797 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.22 18.28 0.05 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.412 -0.805 . . . . 0.0 110.131 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 75' ' ' ASN . . . -99.49 149.65 23.0 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.271 -0.893 . . . . 0.0 109.847 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -86.44 159.52 19.31 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.441 -0.787 . . . . 0.0 110.325 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.82 -42.56 99.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.512 -0.742 . . . . 0.0 109.901 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.59 -6.47 62.63 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -63.01 -45.68 91.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.325 -1.103 . . . . 0.0 109.221 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -104.69 -27.62 11.7 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.519 -0.738 . . . . 0.0 109.514 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.21 63.94 0.91 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.388 -0.82 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -90.7 7.32 40.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.383 -0.823 . . . . 0.0 109.344 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.7 t -137.74 145.04 41.99 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.478 -0.764 . . . . 0.0 109.446 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -84.42 170.88 13.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.504 -0.748 . . . . 0.0 110.299 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.96 3.49 90.45 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -78.22 155.69 30.19 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.382 -1.069 . . . . 0.0 109.765 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -119.07 126.24 51.21 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -106.56 131.21 53.99 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -114.25 123.97 50.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.674 -0.641 . . . . 0.0 109.329 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.7 t -92.2 126.48 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 87.5 t -107.96 110.69 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.66 -0.65 . . . . 0.0 109.371 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -98.37 110.96 23.46 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.497 -0.752 . . . . 0.0 109.721 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.675 179.783 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 N--CA 1.499 2.02 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -110.89 145.38 38.38 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.518 -0.739 . . . . 0.0 109.237 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.3 pt -129.47 143.8 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.582 -0.699 . . . . 0.0 109.26 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -96.26 131.72 42.46 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.6 m -146.54 166.73 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 109.193 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -97.83 143.16 28.73 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.262 -0.898 . . . . 0.0 109.2 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.5 t -124.88 135.45 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.2 p -132.38 156.39 46.74 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.475 -0.765 . . . . 0.0 109.312 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.44 HD21 ' HB3' ' A' ' 27' ' ' ALA . 7.4 p30 -147.83 137.22 22.37 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.249 -0.907 . . . . 0.0 109.118 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' HIS . 89.0 p -75.94 163.13 27.49 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.453 -0.779 . . . . 0.0 111.013 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 28.4 m170 39.95 49.6 2.29 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 121.435 0.636 . . . . 0.0 110.314 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 27' ' ' ALA . 11.5 m120 -151.93 -29.32 0.17 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.9 t0 60.24 -1.37 0.2 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.661 -0.649 . . . . 0.0 109.499 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.519 ' H ' ' C ' ' A' ' 25' ' ' ASN . . . -87.88 111.1 21.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 0.0 109.283 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.2 t -124.98 130.4 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.67 145.76 29.21 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.44 -0.787 . . . . 0.0 109.176 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' GLU . 76.5 m-85 -109.55 138.66 45.59 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.65 -0.656 . . . . 0.0 110.15 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' PHE . 78.5 mm-40 37.03 77.56 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.213 0.53 . . . . 0.0 111.196 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 32' ' ' VAL . 3.3 m -97.94 122.99 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.05 -1.031 . . . . 0.0 109.195 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 18.3 ptmt -81.88 123.55 28.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.052 -1.03 . . . . 0.0 109.825 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -140.41 144.59 36.25 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.213 -0.93 . . . . 0.0 109.391 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.478 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -70.02 131.68 44.73 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 121.793 0.806 . . . . 0.0 109.819 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -75.39 -12.41 60.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.633 -0.667 . . . . 0.0 109.835 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -82.56 0.28 43.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.117 -0.989 . . . . 0.0 109.607 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.478 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 88.9 mt -77.16 151.21 35.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.269 -0.894 . . . . 0.0 110.022 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.9 p -85.29 164.02 18.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.485 -0.759 . . . . 0.0 110.067 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.93 -43.63 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.639 -0.663 . . . . 0.0 109.39 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.64 85.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.382 -0.824 . . . . 0.0 109.493 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.64 -43.13 94.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.066 -1.021 . . . . 0.0 109.463 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.503 HD22 HD13 ' A' ' 79' ' ' LEU . 47.4 tp -63.57 -41.33 98.4 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.383 -0.823 . . . . 0.0 109.786 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -59.85 -41.59 91.76 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.182 -0.949 . . . . 0.0 109.572 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.5 m -60.31 -45.38 93.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.362 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.98 -43.58 98.39 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.075 -1.015 . . . . 0.0 109.207 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.84 -39.47 94.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.276 -0.89 . . . . 0.0 109.082 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.6 tt0 -55.16 -41.6 72.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.358 -0.839 . . . . 0.0 108.911 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.9 -42.93 97.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.371 -0.831 . . . . 0.0 109.422 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.58 -42.08 98.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.414 -0.804 . . . . 0.0 109.951 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.417 HG22 HD22 ' A' ' 22' ' ' ASN . 44.2 p -91.26 -15.78 28.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.928 -1.107 . . . . 0.0 109.77 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.29 0.93 8.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.23 -165.68 34.82 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 m -98.97 132.77 44.04 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.472 -1.017 . . . . 0.0 109.86 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.35 83.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.541 -0.724 . . . . 0.0 110.321 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.06 -6.79 87.6 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 119.984 -1.103 . . . . 0.0 110.58 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.2 m -107.65 -30.99 8.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.175 -1.191 . . . . 0.0 110.068 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.17 144.91 26.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 0.0 109.968 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -110.57 153.27 25.37 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.18 132.37 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.575 -0.703 . . . . 0.0 109.124 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -135.59 149.76 49.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.47 -0.769 . . . . 0.0 109.107 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.8 t -106.35 130.42 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.491 -0.755 . . . . 0.0 109.055 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -128.93 149.75 50.66 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.636 0.732 . . . . 0.0 109.699 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -139.64 91.28 2.47 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.17 -130.18 13.46 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -96.13 11.98 32.36 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.437 -1.037 . . . . 0.0 110.371 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.7 m -118.53 133.4 55.9 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.39 -0.819 . . . . 0.0 110.03 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 m -82.17 119.54 24.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.43 -0.794 . . . . 0.0 109.892 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 70' ' ' SER . 77.3 t -71.19 -50.88 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 0.0 110.161 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.1 m 164.7 -179.28 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.342 -0.848 . . . . 0.0 109.258 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.5 m -120.62 130.35 54.12 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -66.17 93.72 0.22 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.218 -0.926 . . . . 0.0 110.153 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -90.71 -23.7 20.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.443 -0.786 . . . . 0.0 109.724 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -93.85 106.0 17.99 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.311 -0.868 . . . . 0.0 109.811 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 53.2 p-10 -72.64 -15.61 61.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.264 -0.898 . . . . 0.0 109.297 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 95.5 m-20 -90.65 -3.51 57.47 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.362 -0.836 . . . . 0.0 109.202 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.65 155.21 31.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.507 -0.746 . . . . 0.0 110.098 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -83.07 160.64 21.88 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.437 -0.79 . . . . 0.0 110.306 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.503 HD13 HD22 ' A' ' 43' ' ' LEU . 45.6 tp -62.55 -41.5 98.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.499 -0.75 . . . . 0.0 109.261 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.77 -3.14 54.16 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.04 -45.4 93.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.051 -1.264 . . . . 0.0 109.022 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -107.8 -29.23 9.2 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.467 -0.77 . . . . 0.0 109.724 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.5 -106.65 0.08 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.2 -0.937 . . . . 0.0 110.242 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 61.37 32.08 19.13 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.65 -0.656 . . . . 0.0 109.89 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.6 t -158.12 130.6 7.14 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.179 -0.951 . . . . 0.0 109.173 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -77.17 147.64 36.38 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.195 -0.94 . . . . 0.0 110.42 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.43 -5.47 51.98 Favored Glycine 0 N--CA 1.5 2.902 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.7 mt -76.48 158.35 31.36 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.188 -1.184 . . . . 0.0 109.812 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -125.83 130.02 50.56 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -103.73 131.82 50.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.501 -0.749 . . . . 0.0 109.061 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -117.44 124.34 48.57 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.655 -0.653 . . . . 0.0 109.543 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.9 t -106.42 129.27 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.49 113.99 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.472 -0.768 . . . . 0.0 109.28 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -98.88 114.17 26.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.312 -0.868 . . . . 0.0 109.833 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.593 179.567 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -104.12 145.42 30.21 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 121.825 0.822 . . . . 0.0 109.574 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.0 pt -135.94 161.58 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.758 0.79 . . . . 0.0 110.087 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -108.11 128.19 54.47 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.691 0.758 . . . . 0.0 109.584 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.48 166.42 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 CA-C-O 121.825 0.821 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -102.13 141.56 34.77 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.706 0.765 . . . . 0.0 109.772 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.8 t -125.16 132.87 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 CA-C-O 121.764 0.792 . . . . 0.0 109.336 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 m -128.99 154.16 46.87 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.62 0.724 . . . . 0.0 109.871 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 23' ' ' SER . 54.8 t-20 -134.8 142.47 46.69 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.731 0.777 . . . . 0.0 109.742 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.518 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 68.2 m -78.51 -6.41 55.37 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.53 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 74.4 m80 -126.01 153.54 44.23 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.795 0.807 . . . . 0.0 110.533 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 56.55 3.9 0.13 Allowed 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.515 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 24' ' ' HIS . 93.2 m-20 45.77 29.01 0.63 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.11 119.67 16.62 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.53 0.681 . . . . 0.0 110.008 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.6 t -127.44 132.18 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.476 0.655 . . . . 0.0 109.58 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.21 136.34 53.06 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.547 0.689 . . . . 0.0 109.528 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -114.13 140.74 48.26 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.836 0.827 . . . . 0.0 110.579 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 55.57 47.75 20.17 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.275 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 32' ' ' VAL . 4.7 p -77.51 126.9 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-O 121.651 0.739 . . . . 0.0 110.275 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -89.58 115.9 27.33 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.689 0.757 . . . . 0.0 110.195 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.5 mt -135.72 133.64 38.26 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.581 0.705 . . . . 0.0 109.521 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.5 140.02 49.79 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.605 0.717 . . . . 0.0 110.213 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -70.66 -16.95 62.86 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.139 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -80.66 -2.87 48.46 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.691 -0.631 . . . . 0.0 110.057 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.0 mt -75.99 139.89 41.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.539 -0.726 . . . . 0.0 109.845 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.7 p -84.58 166.24 17.33 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.591 0.71 . . . . 0.0 109.882 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.87 -43.79 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.12 95.59 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -65.72 -37.71 87.16 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.508 HD22 HD13 ' A' ' 79' ' ' LEU . 55.7 tp -63.0 -40.92 99.23 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.15 -39.87 94.08 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 83.9 m -61.62 -45.57 93.53 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -64.24 -43.39 95.07 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.38 -39.8 92.71 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.1 tt0 -51.18 -47.68 62.12 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.87 -43.64 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-O 121.193 0.52 . . . . 0.0 109.6 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.15 -43.26 95.73 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.979 -0.45 . . . . 0.0 110.485 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.2 p -94.64 -15.86 23.64 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.877 -0.514 . . . . 0.0 109.712 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 64.08 17.7 61.53 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.72 -162.65 36.57 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.417 ' SG ' ' OG1' ' A' ' 57' ' ' THR . 0.8 OUTLIER -105.8 116.48 32.02 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.524 0.678 . . . . 0.0 109.192 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.64 -26.63 68.12 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.058 0.456 . . . . 0.0 109.891 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.91 -39.25 97.81 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.417 ' OG1' ' SG ' ' A' ' 54' ' ' CYS . 53.5 p -105.97 6.27 31.16 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.619 -0.93 . . . . 0.0 109.523 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.6 ttm -74.9 131.06 40.43 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.725 0.774 . . . . 0.0 110.229 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -123.83 140.88 52.55 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 121.673 0.749 . . . . 0.0 109.706 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.98 129.51 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-O 121.637 0.732 . . . . 0.0 109.685 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -130.77 129.17 42.12 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.749 0.785 . . . . 0.0 109.842 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.19 130.11 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 121.592 0.71 . . . . 0.0 109.9 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.48 ' HE1' ' HG ' ' A' ' 68' ' ' CYS . 30.8 m-85 -127.25 144.69 50.99 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.972 0.891 . . . . 0.0 110.098 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -149.0 92.17 1.94 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.42 -128.77 8.63 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -102.4 10.12 39.26 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.1 m -129.35 135.7 49.07 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.868 0.842 . . . . 0.0 110.469 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.48 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 3.2 m -82.07 130.29 35.04 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.44 0.638 . . . . 0.0 109.996 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -73.53 -55.07 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.2 t -175.85 165.9 3.04 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.668 0.747 . . . . 0.0 110.451 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.2 m -114.5 128.63 56.43 Favored 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.73 0.776 . . . . 0.0 109.474 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.0 mtt -68.85 92.22 0.49 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.377 0.608 . . . . 0.0 110.426 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.1 t0 -95.04 -24.65 16.8 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 61.3 t-20 -91.04 109.97 21.22 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.598 0.713 . . . . 0.0 110.301 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -72.26 -18.39 61.82 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 89.8 m-20 -92.07 7.44 42.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.767 -0.583 . . . . 0.0 109.442 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.38 153.07 20.7 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.665 0.745 . . . . 0.0 109.783 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -79.8 156.85 27.23 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.622 0.725 . . . . 0.0 110.177 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.508 HD13 HD22 ' A' ' 43' ' ' LEU . 40.0 tp -63.73 -41.79 97.99 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.5 -4.52 52.34 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.99 -45.09 94.08 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.971 -0.723 . . . . 0.0 109.142 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -104.94 -26.53 12.14 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.77 67.65 0.9 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.564 -0.71 . . . . 0.0 109.586 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -100.71 53.47 0.86 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 t -161.46 -131.77 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.454 0.645 . . . . 0.0 110.625 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 49.7 p-10 -169.01 139.47 2.32 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.753 0.787 . . . . 0.0 110.533 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.76 3.09 61.01 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.8 mt -72.14 153.71 41.49 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.907 -0.761 . . . . 0.0 110.069 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -116.16 129.25 56.23 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.724 0.773 . . . . 0.0 109.755 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.65 130.88 54.87 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.679 0.752 . . . . 0.0 109.738 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.518 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 83.8 t60 -104.53 118.48 36.7 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.73 0.776 . . . . 0.0 109.826 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.6 t -97.21 128.25 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-O 121.502 0.668 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.8 t -115.55 125.0 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-O 121.865 0.84 . . . . 0.0 109.762 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.53 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 27.0 p-10 -128.89 107.04 9.31 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.445 0.64 . . . . 0.0 109.6 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 117.863 -1.065 . . . . 0.0 110.03 179.577 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -128.83 146.2 50.99 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.632 -0.667 . . . . 0.0 109.641 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.0 pt -132.39 159.2 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.712 -0.617 . . . . 0.0 109.547 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -105.44 127.14 52.83 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.773 0.797 . . . . 0.0 110.196 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -135.93 162.49 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-O 121.44 0.638 . . . . 0.0 109.303 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -98.97 139.9 33.93 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -125.95 133.51 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 CA-C-O 121.725 0.774 . . . . 0.0 109.638 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.0 p -146.9 162.54 38.48 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.533 ' ND2' ' H ' ' A' ' 24' ' ' HIS . 14.4 t30 -130.8 154.16 48.31 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.933 0.873 . . . . 0.0 110.049 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -67.55 -15.11 63.49 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.304 0.573 . . . . 0.0 109.472 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.533 ' H ' ' ND2' ' A' ' 22' ' ' ASN . 79.6 m80 -131.04 167.06 19.71 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.275 -0.891 . . . . 0.0 109.996 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 58.64 151.25 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.807 0.813 . . . . 0.0 110.561 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.09 6.68 35.17 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.01 106.53 0.72 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.3 -0.875 . . . . 0.0 109.694 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -131.32 133.68 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.511 -0.743 . . . . 0.0 109.383 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.76 135.73 50.21 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLU . 99.0 m-85 -109.0 143.89 37.7 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.655 0.74 . . . . 0.0 110.369 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' PHE . 97.5 mt-10 35.02 66.72 0.29 Allowed 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 121.519 0.676 . . . . 0.0 111.005 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 p -90.54 128.4 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.225 -0.922 . . . . 0.0 109.13 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -81.58 120.21 24.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 110.09 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -132.99 135.46 45.49 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 121.52 0.676 . . . . 0.0 109.543 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.449 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -67.58 139.77 56.91 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.982 0.896 . . . . 0.0 109.957 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -75.49 -11.95 60.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.649 -0.657 . . . . 0.0 109.602 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -85.22 -0.52 54.9 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.111 -0.993 . . . . 0.0 109.565 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 93.1 mt -74.62 142.23 44.61 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.02 -1.05 . . . . 0.0 109.749 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.529 ' OG1' ' NE2' ' A' ' 42' ' ' GLN . 10.1 p -82.68 164.62 20.59 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 121.828 0.823 . . . . 0.0 110.102 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.51 -43.21 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.608 -0.683 . . . . 0.0 110.009 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.37 92.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.144 -0.972 . . . . 0.0 109.656 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.618 ' N ' ' NE2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -66.25 -35.61 80.86 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.355 -0.841 . . . . 0.0 109.029 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.409 HD22 HD13 ' A' ' 79' ' ' LEU . 57.9 tp -64.03 -39.27 93.71 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.454 -0.779 . . . . 0.0 109.251 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.61 -41.91 99.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.483 -0.76 . . . . 0.0 109.75 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.5 p -60.48 -44.23 96.14 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.225 -0.922 . . . . 0.0 109.835 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.423 ' NZ ' HD13 ' A' ' 38' ' ' LEU . 98.8 mttt -64.06 -44.3 92.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.156 -0.965 . . . . 0.0 109.476 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.59 -38.29 86.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 0.0 109.177 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.2 tt0 -52.61 -43.55 65.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.39 -0.819 . . . . 0.0 109.083 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.94 -44.01 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.21 -0.931 . . . . 0.0 109.242 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.97 -42.28 97.31 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.456 -0.778 . . . . 0.0 110.702 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.2 p -94.35 -16.4 23.52 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.928 -1.107 . . . . 0.0 109.427 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.94 22.68 74.12 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.7 -142.01 10.38 Favored Glycine 0 N--CA 1.494 2.56 0 O-C-N 121.247 -1.149 . . . . 0.0 110.414 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 m -135.41 114.32 12.05 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.492 -1.004 . . . . 0.0 109.056 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.95 -24.56 2.63 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.569 0.699 . . . . 0.0 110.006 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.35 6.45 72.36 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.3 p -133.85 -49.38 0.82 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.258 -1.143 . . . . 0.0 110.236 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.5 ptp -53.03 144.07 15.99 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.981 0.896 . . . . 0.0 111.044 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -109.5 149.24 29.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.646 -0.659 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.499 HG11 ' SD ' ' A' ' 72' ' ' MET . 54.0 t -116.9 128.45 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 CA-C-O 121.532 0.682 . . . . 0.0 109.44 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.78 145.26 42.17 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.477 -0.764 . . . . 0.0 109.455 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.48 132.16 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.512 -0.743 . . . . 0.0 109.566 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -125.63 147.35 49.35 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.874 0.845 . . . . 0.0 110.177 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -143.07 80.96 1.7 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.82 -127.73 8.79 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -97.41 4.36 50.64 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.427 -1.043 . . . . 0.0 109.363 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.4 m -124.08 131.13 53.52 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.327 -0.858 . . . . 0.0 110.438 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.449 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 28.0 p -78.13 122.92 26.26 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.535 0.683 . . . . 0.0 109.682 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 70' ' ' SER . 94.0 t -65.43 -46.73 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.2 m 167.52 174.4 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.142 -0.973 . . . . 0.0 110.293 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' ASP . 52.6 m -115.11 130.7 56.99 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 121.667 0.746 . . . . 0.0 109.69 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.499 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.5 mtt -62.29 73.72 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.745 0.784 . . . . 0.0 110.014 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 71' ' ' THR . 54.9 m-20 -66.57 -35.52 80.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.488 -0.758 . . . . 0.0 109.34 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -86.88 107.02 18.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.114 -0.991 . . . . 0.0 110.257 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 52.6 p30 -74.86 -16.7 60.67 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.651 0.739 . . . . 0.0 109.453 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 31.9 p-10 -93.32 0.74 57.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.175 -0.953 . . . . 0.0 109.468 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.49 162.66 23.16 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.171 -0.956 . . . . 0.0 110.229 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -83.27 158.38 22.27 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.861 0.838 . . . . 0.0 110.613 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.409 HD13 HD22 ' A' ' 43' ' ' LEU . 42.8 tp -63.54 -40.98 98.43 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.691 0.757 . . . . 0.0 109.976 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.33 -5.07 62.01 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -63.18 -44.12 96.3 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.301 -1.117 . . . . 0.0 109.361 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.96 -27.43 11.69 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.388 -0.82 . . . . 0.0 109.15 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.22 75.65 1.27 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.361 -0.837 . . . . 0.0 109.187 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -95.24 8.05 44.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.392 -0.817 . . . . 0.0 108.885 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.2 m -149.36 152.29 35.55 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.176 -0.953 . . . . 0.0 110.228 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -84.57 171.41 12.5 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.886 0.851 . . . . 0.0 111.281 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.92 -1.94 85.38 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.6 mt -77.06 154.01 33.79 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.361 -1.082 . . . . 0.0 109.934 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -119.82 131.79 55.4 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.851 0.834 . . . . 0.0 109.426 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.8 mt -103.7 132.74 49.68 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -114.66 129.8 56.72 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.487 0.66 . . . . 0.0 109.479 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.09 131.74 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.574 0.702 . . . . 0.0 109.309 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.95 119.3 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 94' ' ' ASP . 42.8 p-10 -127.43 108.14 10.57 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.733 0.778 . . . . 0.0 109.613 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 93.0 p . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 117.89 -1.052 . . . . 0.0 108.836 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 . . . . . 0 N--CA 1.495 1.783 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 15' ' ' PHE . 3.4 m-85 -128.01 153.09 47.15 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 pt -121.56 153.15 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.602 -0.686 . . . . 0.0 109.44 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -105.5 114.97 29.47 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.36 164.43 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.46 -0.775 . . . . 0.0 109.411 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -99.93 144.8 28.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.583 -0.698 . . . . 0.0 109.61 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.13 133.79 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 p -139.39 165.47 27.13 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.553 HD22 HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -143.82 131.73 21.55 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.193 -0.942 . . . . 0.0 109.631 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.532 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 60.2 m -63.23 -43.41 98.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.66 -0.65 . . . . 0.0 109.963 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.454 ' CE1' ' O ' ' A' ' 94' ' ' ASP . 58.3 m80 -79.5 -79.42 0.14 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.589 -0.694 . . . . 0.0 110.411 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 58.7 t-20 -62.93 146.65 52.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.522 -0.736 . . . . 0.0 109.843 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.54 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 94.6 m-20 -89.24 0.86 56.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.611 -0.681 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.427 ' HB3' HD21 ' A' ' 22' ' ' ASN . . . -60.63 120.43 10.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.465 -0.772 . . . . 0.0 109.447 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -128.09 133.54 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.43 136.02 53.24 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' GLU . 93.7 m-85 -110.26 146.66 35.26 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.398 -0.814 . . . . 0.0 110.595 -178.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' PHE . 97.3 mt-10 40.58 59.1 2.21 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.353 0.596 . . . . 0.0 110.304 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 32' ' ' VAL . 9.9 p -89.8 121.58 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.428 -0.795 . . . . 0.0 109.06 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -75.39 133.18 41.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.443 -0.786 . . . . 0.0 110.137 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -137.33 130.93 31.46 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.418 -0.801 . . . . 0.0 109.277 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.5 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -69.22 141.57 54.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.449 -0.782 . . . . 0.0 109.548 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -70.65 -15.03 62.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.606 -0.684 . . . . 0.0 110.149 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -85.89 0.87 52.0 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.436 -0.79 . . . . 0.0 109.717 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.5 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 98.6 mt -74.21 139.67 44.55 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 109.984 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 80.5 p -88.75 165.71 14.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.595 -0.69 . . . . 0.0 109.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.54 -43.98 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.578 -0.701 . . . . 0.0 109.271 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.13 92.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.529 -0.732 . . . . 0.0 109.54 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.4 -36.09 82.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.354 -0.841 . . . . 0.0 109.198 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.22 -42.12 99.02 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.503 -0.748 . . . . 0.0 109.128 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.14 -42.41 99.22 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -0.854 . . . . 0.0 109.811 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.9 p -61.01 -42.87 99.28 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.271 -0.893 . . . . 0.0 109.348 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -63.42 -42.93 98.73 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.91 -39.28 93.81 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.574 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.1 tt0 -54.25 -44.6 71.91 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.3 -43.71 95.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.251 -0.906 . . . . 0.0 109.088 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.514 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -63.33 -45.2 92.37 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.676 -0.64 . . . . 0.0 109.908 -178.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 HD22 ' A' ' 22' ' ' ASN . 34.8 p -92.02 -12.84 32.1 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.121 -0.987 . . . . 0.0 109.367 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 63.91 18.1 61.68 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.48 -137.21 6.32 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.477 ' SG ' ' CG2' ' A' ' 57' ' ' THR . 0.5 OUTLIER -136.56 125.13 23.65 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.51 -0.994 . . . . 0.0 109.448 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.31 -13.44 61.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.582 -0.699 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.39 -4.83 75.58 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.477 ' CG2' ' SG ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -143.1 9.56 1.69 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.331 -1.099 . . . . 0.0 108.848 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 56.9 ttm -82.64 144.0 30.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.597 -0.69 . . . . 0.0 110.196 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -124.14 140.54 52.87 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.4 t -113.17 129.96 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -130.76 128.19 40.28 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -87.44 133.72 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.392 -0.817 . . . . 0.0 109.156 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -127.55 145.29 50.91 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.837 0.827 . . . . 0.0 110.219 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -143.96 92.77 2.37 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.81 -133.74 13.48 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -96.54 7.67 45.98 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.379 -1.071 . . . . 0.0 109.831 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -124.41 133.17 53.48 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.493 -0.754 . . . . 0.0 109.774 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.8 t -80.19 126.6 31.31 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.518 -0.739 . . . . 0.0 109.772 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.444 ' O ' ' CB ' ' A' ' 70' ' ' SER . 94.2 t -65.64 -45.34 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.467 -0.771 . . . . 0.0 109.751 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 168.44 176.5 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.322 -0.861 . . . . 0.0 109.398 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.7 m -116.81 129.66 56.23 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -66.21 92.29 0.18 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.354 -0.841 . . . . 0.0 110.129 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 40.4 p-10 -93.01 -21.15 19.93 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.291 -0.88 . . . . 0.0 109.501 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 85.5 m-20 -89.81 109.58 20.56 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.366 -0.834 . . . . 0.0 109.694 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -74.54 -16.63 60.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.477 -0.764 . . . . 0.0 109.622 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 34.9 p-10 -95.78 0.55 52.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.258 -0.901 . . . . 0.0 109.492 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.34 152.14 36.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.395 -0.816 . . . . 0.0 109.879 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.43 158.92 20.91 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.488 -0.758 . . . . 0.0 109.969 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.16 -42.08 99.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.575 -0.703 . . . . 0.0 109.835 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.79 -9.4 65.73 Favored Glycine 0 N--CA 1.492 2.372 0 C-N-CA 119.517 -1.325 . . . . 0.0 109.932 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.27 -45.49 91.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.216 -1.167 . . . . 0.0 109.416 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -104.39 -30.52 10.04 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.402 -0.811 . . . . 0.0 109.543 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.25 68.0 0.87 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.468 -0.77 . . . . 0.0 109.272 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -92.21 2.88 56.34 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.371 -0.83 . . . . 0.0 109.447 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.3 m -135.6 149.78 49.48 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.343 -0.848 . . . . 0.0 109.856 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -85.27 170.74 12.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.376 -0.828 . . . . 0.0 110.475 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.03 -2.91 87.19 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.5 mt -76.92 153.25 34.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.296 -1.12 . . . . 0.0 109.739 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -118.52 129.66 55.49 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.623 -0.673 . . . . 0.0 109.351 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -105.14 131.01 53.17 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.532 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 73.2 t60 -111.14 119.43 38.94 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.607 -0.683 . . . . 0.0 109.369 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.91 128.97 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.615 -0.678 . . . . 0.0 109.362 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.1 t -117.35 123.12 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.454 ' O ' ' CE1' ' A' ' 24' ' ' HIS . 68.1 t0 -100.83 109.23 21.19 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.485 -0.759 . . . . 0.0 109.869 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.12 179.508 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 97.6 m-20 . . . . . 0 N--CA 1.498 1.937 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 14' ' ' ASP . 84.8 m-85 -138.6 130.7 28.33 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-N 122.224 2.284 . . . . 0.0 113.13 -177.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.5 pt -135.02 154.81 37.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 113.727 -1.579 . . . . 0.0 107.426 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -111.28 134.55 52.78 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.9 m -138.26 166.58 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.395 -0.816 . . . . 0.0 109.196 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -100.71 144.14 30.04 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.533 -0.729 . . . . 0.0 109.463 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -125.46 133.66 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 t -135.87 163.45 30.21 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.446 -0.784 . . . . 0.0 109.13 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' SER . 58.3 t-20 -134.95 143.87 47.11 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.446 -0.784 . . . . 0.0 109.69 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.522 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 67.3 m -74.65 -69.5 0.46 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.458 -0.776 . . . . 0.0 110.291 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 94' ' ' ASP . 71.3 m80 -58.32 -44.16 88.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.413 -0.804 . . . . 0.0 110.179 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -92.14 146.43 23.72 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.242 -0.911 . . . . 0.0 110.208 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.447 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 60.9 t0 -93.45 4.7 53.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.529 -0.732 . . . . 0.0 109.211 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.18 129.26 39.22 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.088 -1.008 . . . . 0.0 109.699 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.95 133.25 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.43 -0.794 . . . . 0.0 109.261 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.27 138.19 44.97 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.444 -0.785 . . . . 0.0 109.177 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -115.37 139.33 50.1 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.521 -0.737 . . . . 0.0 110.236 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 56.01 55.1 7.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.689 -0.632 . . . . 0.0 110.891 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 32' ' ' VAL . 2.5 m -79.01 125.27 38.3 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 O-C-N 121.132 -0.98 . . . . 0.0 109.106 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -93.56 113.07 25.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.977 -1.077 . . . . 0.0 109.472 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.2 mt -133.32 135.06 44.58 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.448 -0.782 . . . . 0.0 109.246 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 14' ' ' ASP . . . -68.87 142.95 54.66 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.376 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -72.95 -11.85 60.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.557 -0.715 . . . . 0.0 109.501 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -84.25 1.16 46.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.168 -0.957 . . . . 0.0 109.656 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.4 mt -77.48 143.74 38.27 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.25 -0.906 . . . . 0.0 110.155 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.7 p -86.32 165.38 16.46 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.447 -0.783 . . . . 0.0 110.006 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.89 -44.12 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.619 -0.675 . . . . 0.0 109.879 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.44 88.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -0.916 . . . . 0.0 109.295 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.04 -37.9 84.91 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.323 -0.86 . . . . 0.0 109.061 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.414 HD22 HD13 ' A' ' 79' ' ' LEU . 56.5 tp -62.32 -43.46 98.77 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.402 -0.811 . . . . 0.0 109.18 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.05 -38.99 90.85 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.346 -0.846 . . . . 0.0 109.039 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.8 m -61.17 -46.39 90.7 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.275 -0.891 . . . . 0.0 109.17 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -63.71 -44.41 93.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.333 -0.854 . . . . 0.0 109.188 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.6 -38.68 90.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.549 -0.719 . . . . 0.0 109.283 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.8 tt0 -55.31 -48.05 74.71 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.541 -0.725 . . . . 0.0 109.221 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.9 -43.34 96.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.353 -0.842 . . . . 0.0 109.119 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.28 -41.97 99.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.56 -0.712 . . . . 0.0 110.312 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.1 p -93.09 -15.65 25.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.097 -1.002 . . . . 0.0 109.588 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.5 2.04 18.9 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.0 -171.91 32.49 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 t -97.43 120.8 38.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.506 -0.996 . . . . 0.0 109.293 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.32 -30.68 70.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.435 -0.791 . . . . 0.0 110.181 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.69 90.59 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.5 p -104.57 -5.02 21.87 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.261 -1.14 . . . . 0.0 109.997 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.0 ttp -87.24 125.71 34.37 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.065 -1.022 . . . . 0.0 109.992 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -113.71 150.57 33.1 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.5 t -113.29 132.85 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.536 -0.728 . . . . 0.0 109.385 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -129.5 137.81 51.01 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.64 -0.662 . . . . 0.0 109.292 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.5 t -90.32 130.86 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.463 -0.773 . . . . 0.0 108.999 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -128.63 146.56 50.83 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.881 0.848 . . . . 0.0 110.102 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -146.3 102.82 3.64 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.66 -0.866 . . . . 0.0 108.66 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.2 -129.6 20.67 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -102.25 12.0 37.34 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.538 -0.978 . . . . 0.0 109.755 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -127.64 132.67 49.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.441 -0.787 . . . . 0.0 110.187 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.0 p -78.73 135.26 37.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.527 -0.733 . . . . 0.0 109.626 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.46 -58.71 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 0.0 109.525 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 95.9 p -173.27 164.07 4.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.527 -0.733 . . . . 0.0 109.57 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 86.3 m -110.95 126.75 55.08 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.3 mtt -64.7 85.5 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.267 -0.896 . . . . 0.0 109.755 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 39.5 p-10 -94.63 -24.22 17.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.405 -0.809 . . . . 0.0 109.895 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 99.2 m-20 -92.33 107.25 19.07 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.223 -0.923 . . . . 0.0 110.087 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -64.56 -39.38 93.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.524 -0.735 . . . . 0.0 109.922 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -66.37 -0.93 2.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.4 -0.813 . . . . 0.0 109.863 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.46 152.03 23.52 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.241 -0.912 . . . . 0.0 109.995 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -89.23 164.46 14.95 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.472 -0.767 . . . . 0.0 110.207 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.414 HD13 HD22 ' A' ' 43' ' ' LEU . 44.0 tp -63.15 -41.49 99.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.508 -0.745 . . . . 0.0 109.292 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.4 -5.74 68.22 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -62.32 -44.76 95.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.234 -1.157 . . . . 0.0 108.825 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -101.72 -51.09 3.52 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.482 -0.761 . . . . 0.0 109.372 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.7 143.71 44.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.36 -0.838 . . . . 0.0 110.204 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -169.57 26.86 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 t -149.05 143.18 25.9 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.342 -0.849 . . . . 0.0 109.737 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -85.55 124.41 32.08 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.421 -0.799 . . . . 0.0 109.982 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.16 5.23 15.2 Favored Glycine 0 N--CA 1.502 3.046 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.08 154.12 40.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -1.078 . . . . 0.0 109.668 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -117.5 124.93 49.96 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.709 -0.62 . . . . 0.0 109.539 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.25 124.41 49.49 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.428 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 82.5 t60 -99.38 128.12 45.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.376 -0.828 . . . . 0.0 109.627 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.3 t -101.13 128.0 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.474 -0.766 . . . . 0.0 109.103 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.65 98.8 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.48 ' CG ' HD21 ' A' ' 22' ' ' ASN . 44.3 p-10 -109.46 141.83 41.34 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.46 -0.775 . . . . 0.0 109.308 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--N 1.305 -1.337 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.549 -179.051 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -131.9 158.47 41.3 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.429 -0.794 . . . . 0.0 109.047 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.7 pt -124.95 155.53 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.437 -0.789 . . . . 0.0 109.328 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -103.29 112.39 25.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.388 -0.82 . . . . 0.0 109.119 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 m -141.23 164.7 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.383 -0.823 . . . . 0.0 109.253 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.32 144.74 28.98 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.456 -0.777 . . . . 0.0 109.24 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.47 132.84 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.501 -0.749 . . . . 0.0 109.094 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 m -131.24 155.22 47.48 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -146.07 132.92 20.1 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.023 -1.048 . . . . 0.0 109.469 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.4 p -75.99 170.17 16.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.387 -0.821 . . . . 0.0 110.321 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.7 m80 54.46 15.27 0.97 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.586 -0.696 . . . . 0.0 109.439 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.524 ' OD1' ' HB3' ' A' ' 27' ' ' ALA . 3.6 t-20 -150.32 130.43 13.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.21 -0.931 . . . . 0.0 109.543 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -84.28 1.7 43.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.354 -0.841 . . . . 0.0 109.218 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.524 ' HB3' ' OD1' ' A' ' 25' ' ' ASN . . . -79.38 111.54 15.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.41 -0.806 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -127.01 133.62 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.56 149.72 26.88 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.395 -0.816 . . . . 0.0 109.341 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -128.0 146.15 50.75 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.391 -0.818 . . . . 0.0 110.171 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 46.87 51.81 12.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.606 -0.683 . . . . 0.0 110.309 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.6 p -92.63 126.21 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.065 -1.022 . . . . 0.0 109.335 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -74.16 135.27 42.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.269 -0.894 . . . . 0.0 109.893 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.87 131.34 37.25 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.409 -0.807 . . . . 0.0 109.452 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.66 135.42 51.35 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.359 -0.838 . . . . 0.0 109.842 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -75.17 -14.34 60.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.472 -0.768 . . . . 0.0 109.55 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -80.06 -0.95 37.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.579 -0.7 . . . . 0.0 109.366 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.26 138.18 40.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.314 -0.866 . . . . 0.0 110.16 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.433 ' OG1' ' OE1' ' A' ' 42' ' ' GLN . 15.1 p -89.43 168.32 12.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.507 -0.745 . . . . 0.0 109.851 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.79 -44.79 99.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.602 -0.686 . . . . 0.0 109.668 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.17 97.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.307 -0.871 . . . . 0.0 109.544 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.433 ' OE1' ' OG1' ' A' ' 39' ' ' THR . 6.1 mp0 -67.55 -36.3 80.71 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.8 tp -62.07 -43.13 99.5 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.31 -0.868 . . . . 0.0 109.065 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.62 -44.06 97.26 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.293 -0.879 . . . . 0.0 109.503 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.8 p -69.55 -39.51 77.39 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.073 -1.017 . . . . 0.0 109.755 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.26 -47.87 80.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.232 -0.918 . . . . 0.0 109.11 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.04 -38.86 89.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.444 -0.785 . . . . 0.0 109.351 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.7 tt0 -50.25 -47.01 55.29 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.396 -0.815 . . . . 0.0 109.034 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.11 -43.15 88.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.478 -0.764 . . . . 0.0 109.478 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.74 -42.66 99.77 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.289 -0.882 . . . . 0.0 110.228 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.5 p -94.42 -18.08 21.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.988 -1.07 . . . . 0.0 109.858 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 72.34 14.28 77.02 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.17 -171.12 37.6 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.1 t -105.68 111.82 24.65 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.542 -0.975 . . . . 0.0 109.294 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.83 -22.73 65.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.481 -0.762 . . . . 0.0 110.276 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.33 -3.59 25.84 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.443 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -152.09 9.61 0.51 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.026 -1.279 . . . . 0.0 109.183 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 37.4 ttp -91.86 127.52 37.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.141 -0.975 . . . . 0.0 109.612 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -116.76 151.43 36.45 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -117.57 133.73 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.537 -0.727 . . . . 0.0 109.083 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -127.96 138.65 52.7 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.578 -0.702 . . . . 0.0 109.409 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.96 134.69 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.394 -0.816 . . . . 0.0 109.214 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.462 ' HE1' ' HG ' ' A' ' 68' ' ' CYS . 29.4 m-85 -126.17 148.38 49.44 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.881 0.848 . . . . 0.0 110.172 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -148.75 95.56 2.44 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.95 -133.64 17.29 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -96.94 10.02 40.3 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.367 -1.078 . . . . 0.0 109.605 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.4 m -126.83 135.36 50.9 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.415 -0.803 . . . . 0.0 109.994 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.462 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 3.2 m -83.12 125.84 31.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.525 -0.735 . . . . 0.0 109.653 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.468 ' O ' ' CB ' ' A' ' 70' ' ' SER . 86.3 t -65.52 -45.87 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.327 -0.858 . . . . 0.0 109.585 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.1 m 166.03 175.92 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.387 -0.821 . . . . 0.0 109.201 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.8 m -113.66 131.69 56.06 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -64.6 84.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.29 -0.881 . . . . 0.0 109.841 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -94.6 -22.02 18.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.45 -0.782 . . . . 0.0 109.922 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -83.28 110.53 18.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.147 -0.971 . . . . 0.0 110.46 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -68.31 -33.69 74.77 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.71 -0.619 . . . . 0.0 109.849 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 p-10 -84.01 8.51 15.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.294 -0.879 . . . . 0.0 110.189 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.94 153.23 20.33 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.005 -1.06 . . . . 0.0 109.642 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -93.07 163.48 13.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.26 -0.9 . . . . 0.0 110.416 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.6 tp -63.31 -42.29 99.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.592 -0.693 . . . . 0.0 109.734 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.21 -7.5 63.36 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -63.25 -45.88 89.49 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.268 -1.137 . . . . 0.0 109.226 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -104.99 -30.25 9.92 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.556 -0.715 . . . . 0.0 109.504 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.58 71.66 1.09 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -100.79 7.19 43.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.387 -0.821 . . . . 0.0 109.195 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.8 m -134.48 148.55 50.58 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.408 -0.807 . . . . 0.0 109.528 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -84.79 169.38 14.26 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.269 -0.894 . . . . 0.0 110.466 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.95 -4.14 85.89 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.17 168.74 19.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.197 -1.178 . . . . 0.0 109.819 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -124.77 155.46 39.32 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.731 0.777 . . . . 0.0 109.954 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.6 mt -134.97 97.25 3.69 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -87.38 118.2 26.67 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 0.0 109.584 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.04 130.72 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.362 -0.836 . . . . 0.0 109.241 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.5 t -103.1 113.4 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.315 -0.866 . . . . 0.0 109.051 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 94' ' ' ASP . 45.0 p-10 -127.11 113.76 16.83 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.463 -0.773 . . . . 0.0 109.551 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.023 -179.627 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 . . . . . 0 N--CA 1.498 1.965 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -113.43 140.37 48.14 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.44 0.638 . . . . 0.0 109.621 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.6 pt -130.07 154.33 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.513 -0.742 . . . . 0.0 109.61 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -104.1 123.76 47.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.439 -0.788 . . . . 0.0 109.445 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.01 163.22 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.382 -0.824 . . . . 0.0 109.24 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -103.82 143.22 33.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.62 -0.675 . . . . 0.0 109.2 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.1 t -123.46 131.33 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.9 t -137.05 153.53 50.59 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.538 ' ND2' ' OD2' ' A' ' 94' ' ' ASP . 43.9 t30 -132.97 140.08 47.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.453 -0.78 . . . . 0.0 109.482 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.9 m -60.07 -37.6 80.4 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.58 -0.7 . . . . 0.0 109.754 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -105.01 153.29 21.65 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.335 -0.853 . . . . 0.0 109.899 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 70.25 149.41 0.08 Allowed 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.356 0.598 . . . . 0.0 109.783 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -90.72 6.08 45.54 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.63 106.68 0.58 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 109.207 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -131.34 134.49 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.506 -0.746 . . . . 0.0 109.035 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.31 148.36 32.08 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.373 -0.83 . . . . 0.0 109.034 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' GLU . 94.4 m-85 -124.51 143.91 50.4 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.424 -0.798 . . . . 0.0 110.321 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' PHE . 59.7 mm-40 40.97 42.75 1.6 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.317 0.579 . . . . 0.0 109.83 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.42 130.99 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.2 -0.938 . . . . 0.0 109.52 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -80.23 130.95 35.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.344 -0.848 . . . . 0.0 110.406 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -138.55 124.33 19.83 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.31 138.16 56.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.384 -0.822 . . . . 0.0 109.712 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -75.02 -16.26 60.61 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.672 -0.642 . . . . 0.0 110.154 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -81.54 -0.21 41.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 0.0 109.412 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.54 HD13 ' HZ2' ' A' ' 46' ' ' LYS . 65.1 mt -78.72 144.27 35.43 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.343 -0.848 . . . . 0.0 109.918 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.6 p -84.78 167.34 16.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.378 -0.826 . . . . 0.0 109.981 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.71 -44.28 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.687 -0.633 . . . . 0.0 109.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.18 95.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.284 -0.885 . . . . 0.0 109.753 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -65.28 -31.62 72.87 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.381 -0.825 . . . . 0.0 109.191 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.479 HD22 HD13 ' A' ' 79' ' ' LEU . 55.4 tp -72.65 -38.16 67.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.569 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -60.47 -46.63 89.37 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.244 -0.91 . . . . 0.0 110.198 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.401 ' H ' HG22 ' A' ' 45' ' ' THR . 1.8 t -63.03 -41.69 99.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.376 -0.828 . . . . 0.0 109.06 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.54 ' HZ2' HD13 ' A' ' 38' ' ' LEU . 97.6 mttt -62.6 -45.12 94.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.236 -0.915 . . . . 0.0 109.185 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.21 -38.92 89.11 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.436 -0.79 . . . . 0.0 109.199 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 52' ' ' GLY . 47.2 tp10 -51.35 -48.99 62.28 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.429 -0.794 . . . . 0.0 109.61 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.85 -44.05 96.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.803 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.7 -41.51 98.11 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.323 -0.86 . . . . 0.0 110.518 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 p -95.12 -13.44 25.08 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.055 -1.028 . . . . 0.0 109.618 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 54.19 21.02 17.23 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.443 ' O ' ' OE2' ' A' ' 48' ' ' GLU . . . -78.9 -121.1 0.29 Allowed Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.7 m -148.4 110.43 4.57 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.328 -1.101 . . . . 0.0 109.448 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.29 66.0 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.603 -0.685 . . . . 0.0 109.947 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.8 -5.41 90.06 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 58' ' ' MET . 18.9 p -132.61 -56.47 0.95 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.209 -1.171 . . . . 0.0 110.051 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.405 ' N ' ' OG1' ' A' ' 57' ' ' THR . 0.5 OUTLIER -42.36 145.71 0.38 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.391 -0.818 . . . . 0.0 110.568 -179.214 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -123.82 152.71 41.97 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.687 -0.633 . . . . 0.0 109.444 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.8 t -114.98 132.1 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.465 -0.772 . . . . 0.0 109.23 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -133.47 150.04 51.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.466 -0.771 . . . . 0.0 108.981 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.7 t -100.99 131.98 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.453 -0.779 . . . . 0.0 109.265 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -126.91 143.48 51.26 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.68 0.752 . . . . 0.0 109.402 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -136.89 83.58 2.01 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.89 -126.21 7.31 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 35.8 p-10 -98.23 7.84 45.67 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.419 -1.048 . . . . 0.0 109.843 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.4 m -123.05 131.78 53.84 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.475 -0.766 . . . . 0.0 109.981 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -82.92 119.99 25.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 109.534 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 70' ' ' SER . 94.0 t -64.65 -46.48 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.309 -0.87 . . . . 0.0 109.86 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER 164.77 -175.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.36 -0.837 . . . . 0.0 109.422 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.5 m -120.08 133.58 55.48 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.6 mtt -67.72 87.19 0.22 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.303 -0.873 . . . . 0.0 109.94 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.69 -22.74 19.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.435 -0.791 . . . . 0.0 109.599 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -88.86 105.97 18.08 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.429 -0.794 . . . . 0.0 110.55 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.12 -35.49 78.21 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.697 -0.627 . . . . 0.0 109.668 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -75.18 -4.79 40.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.503 -0.748 . . . . 0.0 109.969 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.57 152.48 28.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.221 -0.924 . . . . 0.0 109.983 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -83.97 162.93 20.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.379 -0.825 . . . . 0.0 110.614 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.479 HD13 HD22 ' A' ' 43' ' ' LEU . 43.8 tp -63.25 -41.22 99.04 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.57 -0.706 . . . . 0.0 109.273 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.59 -4.27 65.04 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -62.53 -45.16 94.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.317 -1.108 . . . . 0.0 109.273 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.03 -27.97 13.3 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.471 -0.768 . . . . 0.0 109.048 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.74 142.28 30.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.453 -0.779 . . . . 0.0 109.426 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -166.45 27.08 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.341 -0.849 . . . . 0.0 108.915 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -149.07 152.59 36.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.455 -0.778 . . . . 0.0 109.454 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -92.59 119.49 32.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.155 -0.966 . . . . 0.0 109.751 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.61 11.67 5.91 Favored Glycine 0 N--CA 1.501 2.997 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.18 151.97 42.58 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.397 -1.061 . . . . 0.0 109.356 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -116.43 125.34 51.88 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.8 mt -106.13 133.51 50.73 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -118.2 128.0 54.28 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.9 t -107.93 129.13 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.17 111.91 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.377 -0.827 . . . . 0.0 109.126 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.538 ' OD2' ' ND2' ' A' ' 22' ' ' ASN . 99.6 m-20 -99.86 113.58 26.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.314 -0.866 . . . . 0.0 110.039 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.141 179.621 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -113.33 155.89 24.36 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.1 pt -127.22 153.36 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.719 -0.613 . . . . 0.0 109.501 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -95.81 114.73 26.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.49 -0.756 . . . . 0.0 109.395 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.95 165.61 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.558 -0.714 . . . . 0.0 109.659 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -98.71 140.9 32.22 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.698 -0.626 . . . . 0.0 109.443 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.5 t -126.94 135.63 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.613 -0.679 . . . . 0.0 109.287 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.4 p -134.87 154.91 51.47 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.481 -0.762 . . . . 0.0 109.421 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 27' ' ' ALA . 78.7 m-20 -133.52 132.91 41.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.541 -0.724 . . . . 0.0 109.398 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.471 ' C ' ' H ' ' A' ' 25' ' ' ASN . 43.1 t -77.82 155.61 30.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.388 -0.82 . . . . 0.0 110.219 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 m80 68.06 -38.18 0.36 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.739 -0.601 . . . . 0.0 110.077 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 27' ' ' ALA . 98.9 m-20 -91.11 -7.32 51.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.081 -1.012 . . . . 0.0 109.034 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' ASN . 98.3 m-20 42.73 20.7 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.485 0.66 . . . . 0.0 109.613 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . -84.46 123.5 30.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.483 -0.761 . . . . 0.0 109.542 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.2 t -128.22 131.51 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.61 -0.681 . . . . 0.0 109.384 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.34 139.42 46.76 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLU . 95.5 m-85 -105.02 145.81 29.93 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.51 -0.744 . . . . 0.0 110.654 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' PHE . 98.5 mt-10 35.47 62.98 0.56 Allowed 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 121.32 0.581 . . . . 0.0 110.776 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 32' ' ' VAL . 11.5 p -90.32 127.02 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 108.704 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -82.36 120.17 25.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.247 -0.908 . . . . 0.0 110.04 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.4 mt -134.1 132.24 39.69 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.35 130.7 43.9 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.411 -0.806 . . . . 0.0 109.674 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 36' ' ' LYS . 49.3 pttt -74.64 -14.57 60.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.542 -0.724 . . . . 0.0 109.679 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -79.94 -2.43 43.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 0.0 109.406 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.1 mt -80.81 154.14 27.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.24 -0.912 . . . . 0.0 109.558 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.509 ' OG1' ' NE2' ' A' ' 42' ' ' GLN . 6.4 p -80.31 173.83 12.21 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.314 1.054 . . . . 0.0 110.492 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.47 -42.43 83.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 N-CA-C 102.066 -3.309 . . . . 0.0 102.066 173.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.5 -50.76 59.27 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 113.144 -1.844 . . . . 0.0 108.894 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.509 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.2 mp0 -67.15 -38.53 85.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.06 -1.025 . . . . 0.0 108.708 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.518 HD22 HD13 ' A' ' 79' ' ' LEU . 46.8 tp -62.27 -44.49 96.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.327 -0.858 . . . . 0.0 109.431 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.65 -40.82 98.22 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -61.68 -46.73 88.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.287 -0.883 . . . . 0.0 109.033 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -63.87 -46.47 84.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.207 -0.933 . . . . 0.0 109.177 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 47' ' ' LEU . 97.9 mt -64.5 -35.61 81.51 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.59 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.2 tt0 -58.59 -39.88 81.61 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.38 -43.69 97.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.7 tp -64.61 -41.78 95.97 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 121.332 0.587 . . . . 0.0 110.22 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.2 p -93.12 -11.24 33.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.131 -0.981 . . . . 0.0 109.682 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 53.35 16.76 5.16 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.61 -147.28 22.4 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -113.91 125.13 53.7 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.651 -0.911 . . . . 0.0 109.847 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.404 ' HB2' ' OE1' ' A' ' 48' ' ' GLU . . . -64.72 -34.77 79.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.425 -0.797 . . . . 0.0 110.006 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.07 -37.78 93.31 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -97.98 2.27 48.77 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.057 -1.26 . . . . 0.0 109.751 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.3 ttm -79.69 138.55 37.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.375 -0.828 . . . . 0.0 109.793 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -123.19 139.21 54.29 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.503 HG11 ' SD ' ' A' ' 72' ' ' MET . 51.7 t -114.36 131.67 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -130.67 123.82 30.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.494 -0.754 . . . . 0.0 109.708 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.83 131.86 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.595 -0.691 . . . . 0.0 109.421 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -129.24 144.59 51.28 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-O 121.819 0.818 . . . . 0.0 110.292 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -147.97 80.44 1.48 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.97 -136.53 12.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -94.66 6.55 48.57 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.395 -1.062 . . . . 0.0 110.278 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.6 m -126.51 136.31 52.44 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.394 -0.816 . . . . 0.0 110.23 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.8 t -78.03 122.73 25.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.523 -0.736 . . . . 0.0 109.322 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.26 -49.43 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.272 -0.893 . . . . 0.0 110.2 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.1 p -172.51 164.09 5.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.148 -0.97 . . . . 0.0 109.788 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.1 m -118.04 127.49 53.85 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.503 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.8 mtt -67.7 90.11 0.27 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.236 -0.915 . . . . 0.0 109.843 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 67.3 t0 -93.67 -30.24 15.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.438 -0.789 . . . . 0.0 109.714 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -90.86 111.43 22.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.293 -0.879 . . . . 0.0 109.648 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 51.8 p-10 -72.35 -19.13 61.69 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.341 -0.849 . . . . 0.0 109.857 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 23.9 p30 -88.01 0.09 56.37 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.363 -0.835 . . . . 0.0 109.646 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.1 153.9 27.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 109.574 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -81.87 157.01 24.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.381 -0.824 . . . . 0.0 110.301 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.518 HD13 HD22 ' A' ' 43' ' ' LEU . 38.5 tp -62.51 -41.9 99.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.5 -0.75 . . . . 0.0 109.678 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.66 -5.48 51.14 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -62.32 -46.42 88.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -1.158 . . . . 0.0 108.712 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -106.21 -29.33 9.9 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.607 -0.683 . . . . 0.0 109.275 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.71 69.61 1.61 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.521 -0.737 . . . . 0.0 109.215 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -98.16 7.14 46.71 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.359 -0.838 . . . . 0.0 109.505 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 t -141.67 145.72 35.27 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.327 -0.858 . . . . 0.0 109.473 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.4 p30 -83.02 169.69 15.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.335 -0.853 . . . . 0.0 110.025 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.4 -5.94 84.22 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -75.9 153.76 36.48 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.331 -1.099 . . . . 0.0 109.208 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -115.03 129.37 56.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.492 -0.755 . . . . 0.0 109.374 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.66 126.98 53.57 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -114.29 120.41 40.31 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.49 0.662 . . . . 0.0 109.539 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -93.48 131.12 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.595 -0.691 . . . . 0.0 109.368 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 49.1 t -118.08 113.31 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -102.15 111.59 23.94 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.549 -0.719 . . . . 0.0 109.77 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.906 -1.045 . . . . 0.0 109.42 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.326 0.584 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 35' ' ' ALA . 79.0 m-85 -129.74 147.17 51.49 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.551 -0.718 . . . . 0.0 109.576 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.2 pt -132.48 147.11 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.479 -0.763 . . . . 0.0 109.767 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -90.56 127.75 36.36 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.703 0.763 . . . . 0.0 110.274 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.1 162.06 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.476 -0.765 . . . . 0.0 109.949 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -100.4 138.14 37.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.461 -0.775 . . . . 0.0 109.237 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -125.2 132.78 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 CA-C-O 121.606 0.717 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.7 p -136.92 162.67 32.62 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.656 0.741 . . . . 0.0 109.656 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -143.39 139.79 30.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.391 -0.818 . . . . 0.0 109.431 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.3 m -60.41 -38.93 85.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.567 -0.708 . . . . 0.0 110.122 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.421 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 76.4 m80 -100.55 159.94 14.75 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.274 -0.891 . . . . 0.0 110.64 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m120 60.57 145.18 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.83 0.824 . . . . 0.0 109.942 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -85.08 9.34 15.08 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 0.0 108.749 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.84 107.3 1.77 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.529 -0.732 . . . . 0.0 109.625 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -131.46 133.78 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.86 139.29 42.67 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.516 -0.74 . . . . 0.0 109.17 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 31' ' ' GLU . 69.3 m-85 -111.83 145.59 39.17 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.686 -0.634 . . . . 0.0 110.266 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' PHE . 16.2 pt-20 33.52 45.11 0.08 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.4 0.619 . . . . 0.0 110.791 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.0 p -78.41 126.41 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -84.75 136.66 33.61 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.641 0.734 . . . . 0.0 110.574 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -137.1 142.89 42.32 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.477 -0.764 . . . . 0.0 109.611 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.475 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . . . -70.39 138.19 51.1 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.745 0.783 . . . . 0.0 109.482 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -75.09 -15.0 60.63 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.466 -0.771 . . . . 0.0 109.82 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.11 -1.35 43.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 109.436 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.462 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 96.1 mt -76.48 143.42 40.5 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.143 -0.973 . . . . 0.0 110.231 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.4 p -85.67 165.53 16.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.421 -0.799 . . . . 0.0 110.47 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.46 -43.52 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.68 -0.638 . . . . 0.0 110.09 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.93 98.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.191 -0.943 . . . . 0.0 109.836 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.26 -35.13 79.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.337 -0.852 . . . . 0.0 109.324 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.85 -39.48 94.31 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.551 -0.718 . . . . 0.0 109.381 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.511 ' HZ1' ' HB ' ' A' ' 60' ' ' VAL . 14.4 mptt -62.05 -42.8 99.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.478 -0.764 . . . . 0.0 109.276 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.4 p -59.66 -44.21 93.65 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.233 -0.917 . . . . 0.0 109.61 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -62.98 -43.18 99.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 109.473 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.58 -38.54 89.82 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.452 -0.78 . . . . 0.0 109.361 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.7 tt0 -56.78 -37.43 71.1 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.2 mm -68.6 -43.58 83.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.411 -0.806 . . . . 0.0 108.967 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.33 -40.84 96.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.435 -0.79 . . . . 0.0 110.146 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.2 p -94.15 -14.93 25.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.061 -1.024 . . . . 0.0 109.367 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 63.36 19.75 62.46 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.86 -145.84 16.55 Favored Glycine 0 N--CA 1.494 2.556 0 O-C-N 121.248 -1.148 . . . . 0.0 110.292 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 m -123.89 132.38 53.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.586 -0.949 . . . . 0.0 109.434 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.46 -13.83 60.4 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.685 -0.635 . . . . 0.0 109.607 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.59 -0.98 64.56 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.0 OUTLIER -146.46 17.85 1.33 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.415 -1.05 . . . . 0.0 108.29 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.7 ttm -87.71 132.85 33.98 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.448 -0.782 . . . . 0.0 110.628 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.487 ' C ' HE22 ' A' ' 61' ' ' GLN . 52.9 mtpt -127.02 133.75 50.47 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.511 ' HB ' ' HZ1' ' A' ' 44' ' ' LYS . 53.4 t -119.99 134.4 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.53 -0.731 . . . . 0.0 109.238 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.488 ' CD ' ' N ' ' A' ' 61' ' ' GLN . 19.2 mp0 -127.51 132.49 49.94 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.509 0.671 . . . . 0.0 109.214 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.5 t -83.56 134.14 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.53 -0.731 . . . . 0.0 109.837 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -126.67 144.65 50.85 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.89 0.852 . . . . 0.0 109.859 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -144.3 87.89 1.91 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.27 -127.56 8.01 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -100.91 11.72 39.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -1.097 . . . . 0.0 109.114 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.1 m -130.01 130.67 45.28 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.757 0.789 . . . . 0.0 110.266 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.5 t -79.23 124.69 28.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.448 -0.782 . . . . 0.0 109.721 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 70' ' ' SER . 88.3 t -65.97 -45.68 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.351 -0.843 . . . . 0.0 109.596 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 166.75 177.02 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.261 -0.899 . . . . 0.0 109.905 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 89.9 m -114.79 130.32 56.84 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.625 0.726 . . . . 0.0 109.515 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt -65.64 84.39 0.07 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.463 -0.773 . . . . 0.0 109.784 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.48 -20.06 21.36 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.613 -0.68 . . . . 0.0 109.414 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -89.5 104.99 17.5 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.07 -1.019 . . . . 0.0 109.937 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.94 -34.16 74.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.6 -0.688 . . . . 0.0 109.446 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 38.9 p-10 -77.32 -2.23 33.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.402 -0.811 . . . . 0.0 109.721 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.37 148.94 25.36 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.258 -0.901 . . . . 0.0 110.032 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -80.13 165.59 22.32 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.839 0.828 . . . . 0.0 110.615 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.46 -41.47 98.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.601 -0.687 . . . . 0.0 109.467 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.75 -3.88 51.6 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -62.5 -44.96 95.11 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.343 -1.093 . . . . 0.0 109.434 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -105.26 -27.73 11.36 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.477 -0.764 . . . . 0.0 109.078 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.42 80.63 2.1 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.434 -0.791 . . . . 0.0 109.318 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -101.88 11.69 38.21 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -146.43 147.94 31.77 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.275 -0.89 . . . . 0.0 109.975 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -82.55 167.68 18.11 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.351 -0.843 . . . . 0.0 110.592 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.84 -3.4 82.97 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.84 152.02 38.98 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.365 -1.08 . . . . 0.0 110.023 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -120.82 131.13 54.28 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.576 -0.703 . . . . 0.0 109.6 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -107.27 132.25 53.3 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -110.71 118.82 37.2 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.527 0.679 . . . . 0.0 109.498 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.3 t -91.17 130.11 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.695 -0.628 . . . . 0.0 109.613 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.05 103.04 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.421 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 39.2 p-10 -102.56 111.67 24.08 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.635 -0.666 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 117.979 -1.01 . . . . 0.0 108.964 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 N--CA 1.496 1.842 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.95 145.92 52.19 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.6 pt -133.17 160.92 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.511 -0.743 . . . . 0.0 109.971 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -116.8 120.74 39.49 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.92 168.02 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.536 -0.728 . . . . 0.0 109.718 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -98.89 141.67 31.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.495 -0.753 . . . . 0.0 109.461 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.9 t -122.97 132.91 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.524 -0.735 . . . . 0.0 109.426 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.9 t -150.69 178.13 9.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.458 -0.776 . . . . 0.0 109.618 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -147.61 167.15 25.3 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.304 -0.873 . . . . 0.0 109.849 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.8 t -63.01 -42.35 99.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.526 -0.734 . . . . 0.0 110.032 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -68.81 -10.52 57.24 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.224 -0.923 . . . . 0.0 108.611 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER 50.92 -121.38 1.77 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.58 -0.7 . . . . 0.0 109.908 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.506 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 99.1 m-20 57.32 -68.99 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.391 0.615 . . . . 0.0 109.939 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . -97.25 118.44 33.71 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.328 -0.858 . . . . 0.0 109.811 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.23 133.71 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.47 129.33 55.56 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -111.02 148.13 33.24 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.562 0.696 . . . . 0.0 110.204 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 55.43 60.81 3.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.723 -0.611 . . . . 0.0 110.337 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 1.6 m -85.95 129.81 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 121.086 -1.009 . . . . 0.0 109.414 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -107.01 106.13 16.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.318 -0.863 . . . . 0.0 108.803 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.2 mt -127.15 144.13 51.11 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.482 -0.761 . . . . 0.0 109.193 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.31 144.11 42.59 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.525 -0.734 . . . . 0.0 110.359 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -72.84 -12.99 61.19 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.548 -0.72 . . . . 0.0 109.588 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -81.1 -0.79 41.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.276 -0.89 . . . . 0.0 109.743 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.5 142.3 37.55 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.878 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.5 p -84.66 165.87 17.55 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.304 -0.873 . . . . 0.0 110.267 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.22 -43.35 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.591 -0.693 . . . . 0.0 109.605 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.05 96.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.269 -0.895 . . . . 0.0 109.579 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.78 -36.47 82.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 0.0 108.962 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.482 HD22 HD13 ' A' ' 79' ' ' LEU . 55.7 tp -62.92 -42.6 99.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.391 -0.818 . . . . 0.0 109.137 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -63.11 -38.37 90.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.504 -0.747 . . . . 0.0 109.489 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.0 m -59.93 -46.25 89.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.376 -0.828 . . . . 0.0 109.148 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.66 -43.68 96.02 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.297 -0.877 . . . . 0.0 109.223 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.87 -38.85 92.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.363 -0.836 . . . . 0.0 109.327 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.7 tt0 -54.78 -48.05 73.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.298 -0.876 . . . . 0.0 109.257 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.75 -43.51 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.9 . . . . 0.0 109.431 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.21 -41.7 96.93 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.469 -0.769 . . . . 0.0 110.483 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.6 p -94.56 -13.64 25.81 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.991 -1.068 . . . . 0.0 109.365 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.84 11.32 53.97 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.52 -159.41 23.55 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.2 m -118.89 122.17 41.68 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.657 -0.908 . . . . 0.0 109.336 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.94 68.65 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.515 -0.741 . . . . 0.0 109.777 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.83 -5.79 33.62 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 t -140.73 1.92 1.75 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.168 -1.196 . . . . 0.0 109.332 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.2 ttm -78.94 139.43 38.25 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 110.193 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -124.71 141.09 52.35 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.565 -0.709 . . . . 0.0 109.602 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.3 t -115.17 132.32 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.675 -0.641 . . . . 0.0 109.327 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -127.87 130.49 48.64 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.14 132.58 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.397 -0.814 . . . . 0.0 109.565 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -127.05 144.88 50.91 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.759 0.79 . . . . 0.0 110.109 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -141.31 82.62 1.83 Allowed 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.41 -129.03 9.06 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -96.87 3.98 51.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.469 -1.018 . . . . 0.0 109.603 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.1 m -126.26 132.71 51.64 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.45 -0.781 . . . . 0.0 110.461 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 p -80.77 125.2 29.77 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.507 -0.745 . . . . 0.0 110.047 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.448 ' O ' ' OG ' ' A' ' 70' ' ' SER . 11.2 t -66.05 -44.88 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.406 -0.809 . . . . 0.0 109.31 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 69' ' ' VAL . 2.2 m 171.4 179.16 0.06 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.433 -0.792 . . . . 0.0 109.345 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 99.1 m -119.0 130.43 55.68 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.431 0.634 . . . . 0.0 109.64 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.3 mtt -63.81 84.98 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.588 -0.695 . . . . 0.0 109.603 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 28.5 p30 -93.57 -19.92 20.73 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.466 -0.771 . . . . 0.0 109.678 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 55.3 t-20 -95.42 106.35 18.4 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.162 -0.961 . . . . 0.0 110.065 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -67.47 -35.48 79.27 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.713 -0.617 . . . . 0.0 110.025 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -73.88 -4.49 35.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 110.115 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.87 153.8 27.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.126 -0.984 . . . . 0.0 110.509 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -81.57 162.38 23.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.584 -0.698 . . . . 0.0 110.477 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.482 HD13 HD22 ' A' ' 43' ' ' LEU . 40.5 tp -63.12 -41.8 99.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.471 -0.768 . . . . 0.0 109.714 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.88 -3.67 56.29 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -63.08 -44.98 94.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.337 -1.096 . . . . 0.0 109.598 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -106.26 -31.0 8.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.501 -0.75 . . . . 0.0 109.426 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.43 77.65 1.3 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.476 -0.765 . . . . 0.0 109.178 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -100.22 5.86 44.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.439 -0.788 . . . . 0.0 109.397 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.2 m -134.63 149.09 50.52 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.365 -0.834 . . . . 0.0 109.807 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -84.86 171.56 12.12 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.435 -0.791 . . . . 0.0 110.377 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.79 -1.88 87.94 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.6 mt -78.89 160.38 27.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.369 -1.077 . . . . 0.0 110.081 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -126.18 135.87 52.16 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.481 0.657 . . . . 0.0 109.685 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.1 mt -107.86 129.91 55.04 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -112.32 114.58 27.41 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.0 t -96.57 126.98 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.373 -0.83 . . . . 0.0 109.427 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.59 117.08 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -112.92 145.46 40.71 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.408 0.623 . . . . 0.0 109.942 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.008 179.683 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -111.03 146.71 36.23 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.555 -0.716 . . . . 0.0 110.105 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.2 pt -127.23 159.87 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -101.35 119.75 39.23 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.312 -0.868 . . . . 0.0 109.619 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -138.55 165.17 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.532 -0.73 . . . . 0.0 109.636 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -102.04 142.54 33.15 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.621 -0.674 . . . . 0.0 109.523 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -125.83 135.08 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.624 -0.672 . . . . 0.0 109.188 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 96.5 p -145.27 166.16 26.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.337 -0.852 . . . . 0.0 108.871 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.512 HD22 HG22 ' A' ' 51' ' ' THR . 28.7 p30 -143.02 154.28 43.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.237 -0.914 . . . . 0.0 109.935 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 m -62.51 -41.77 99.06 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.574 -0.704 . . . . 0.0 110.17 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 25' ' ' ASN . 75.9 m80 -91.66 153.15 19.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.136 -0.977 . . . . 0.0 110.62 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' HIS . 75.0 m-20 59.08 143.2 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.673 0.749 . . . . 0.0 110.599 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.8 4.08 34.68 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.84 109.23 0.6 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.494 -0.754 . . . . 0.0 109.664 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -126.15 133.36 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.525 -0.734 . . . . 0.0 109.228 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.8 139.79 36.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -118.49 143.62 46.6 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.504 -0.748 . . . . 0.0 110.296 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 48.24 51.41 14.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.561 -0.712 . . . . 0.0 109.573 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 32' ' ' VAL . 9.8 p -84.44 125.46 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.343 -0.848 . . . . 0.0 109.587 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -81.85 120.16 24.83 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.309 -0.869 . . . . 0.0 109.994 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.3 mt -135.58 138.3 42.84 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.478 -0.764 . . . . 0.0 109.246 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.36 127.82 33.84 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.438 -0.789 . . . . 0.0 109.803 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -75.39 -11.74 60.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.58 -0.7 . . . . 0.0 109.834 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -80.46 -1.11 40.19 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.197 -0.939 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -77.19 149.84 35.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.349 -0.845 . . . . 0.0 111.008 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.1 p -83.17 165.27 19.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.497 -0.752 . . . . 0.0 110.292 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.51 -43.71 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.502 -0.749 . . . . 0.0 109.933 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.16 98.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.239 -0.913 . . . . 0.0 110.066 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -65.26 -34.66 78.87 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.203 -0.936 . . . . 0.0 109.21 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.458 HD22 HD13 ' A' ' 79' ' ' LEU . 57.0 tp -62.74 -41.01 98.97 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.389 -0.819 . . . . 0.0 109.044 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.82 -40.08 91.38 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.336 -0.852 . . . . 0.0 109.103 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m -61.21 -45.9 92.66 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.289 -0.882 . . . . 0.0 109.272 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -63.58 -43.51 96.79 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.317 -0.864 . . . . 0.0 109.142 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.15 -38.91 93.05 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.9 tt0 -54.08 -46.23 71.96 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.248 -0.907 . . . . 0.0 109.45 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.12 -43.43 98.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 120.717 -1.24 . . . . 0.0 108.979 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.04 -45.21 82.25 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.323 -0.86 . . . . 0.0 111.355 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.512 HG22 HD22 ' A' ' 22' ' ' ASN . 67.5 p -107.1 -47.23 3.73 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.157 -0.965 . . . . 0.0 110.352 -178.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 76.64 23.76 69.25 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.81 34.32 2.98 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.5 m 64.96 109.46 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.652 -0.91 . . . . 0.0 110.184 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.76 78.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.753 -0.592 . . . . 0.0 109.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.88 -34.79 90.83 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 m -98.56 -11.57 22.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.161 -1.199 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.5 ttm -68.87 140.33 55.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 109.801 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -127.23 146.5 50.4 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.594 -0.691 . . . . 0.0 109.233 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG11 ' SD ' ' A' ' 72' ' ' MET . 49.9 t -114.03 131.9 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.608 -0.683 . . . . 0.0 109.172 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -133.63 133.09 41.54 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.2 t -90.01 132.55 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.379 -0.826 . . . . 0.0 109.428 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -128.8 147.78 50.82 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.664 -0.648 . . . . 0.0 109.502 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -142.51 95.84 2.85 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.73 -96.44 1.29 Allowed Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -133.74 24.16 3.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.507 -0.996 . . . . 0.0 109.171 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.4 t -140.01 144.39 36.91 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.352 -0.843 . . . . 0.0 110.173 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.33 120.4 30.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.543 -0.723 . . . . 0.0 109.974 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.38 -44.9 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.248 -0.907 . . . . 0.0 109.142 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 m 172.61 170.31 0.12 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.507 -0.746 . . . . 0.0 109.081 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' ASP . 53.7 m -110.96 128.4 55.82 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.632 -0.668 . . . . 0.0 109.307 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.45 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.3 mtt -63.19 83.25 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.24 -0.913 . . . . 0.0 109.302 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 48.0 p-10 -90.93 -23.4 20.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.39 -0.819 . . . . 0.0 109.305 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 25.7 t-20 -95.57 105.37 17.34 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.324 -0.86 . . . . 0.0 109.851 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.49 -37.75 87.73 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.629 -0.669 . . . . 0.0 109.73 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -62.87 -3.89 1.84 Allowed 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.287 -0.883 . . . . 0.0 109.238 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.428 ' N ' ' OD1' ' A' ' 74' ' ' ASN . . . -82.27 154.07 25.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.337 -0.852 . . . . 0.0 109.985 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -90.46 162.43 15.08 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.34 -0.85 . . . . 0.0 110.226 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.458 HD13 HD22 ' A' ' 43' ' ' LEU . 47.2 tp -64.22 -40.07 95.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.598 -0.689 . . . . 0.0 109.679 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.84 -6.22 71.97 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -62.93 -44.25 96.59 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.488 -1.007 . . . . 0.0 109.23 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -106.48 -27.79 10.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.624 -0.672 . . . . 0.0 109.347 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.8 64.4 1.08 Allowed 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.9 p30 -96.29 8.37 44.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.471 -0.768 . . . . 0.0 109.565 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -137.66 141.19 41.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.305 -0.872 . . . . 0.0 109.703 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.55 162.08 24.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.493 -0.755 . . . . 0.0 110.469 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.58 -1.24 75.35 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.1 mt -77.16 155.77 32.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.304 -1.115 . . . . 0.0 110.072 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -116.01 125.92 53.12 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -105.05 131.1 52.98 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -119.5 128.67 54.19 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.4 t -101.99 130.34 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 88.8 t -111.41 110.82 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.656 -0.653 . . . . 0.0 109.324 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -96.99 141.05 30.62 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.476 -0.765 . . . . 0.0 109.738 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.91 179.884 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -129.73 145.24 51.55 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.584 0.707 . . . . 0.0 109.135 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 pt -128.31 152.38 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 CA-C-O 121.708 0.766 . . . . 0.0 110.263 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -99.16 118.28 35.54 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.725 0.774 . . . . 0.0 110.417 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.13 165.75 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 CA-C-O 121.653 0.74 . . . . 0.0 109.923 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' A' ' 20' ' ' VAL . 61.2 t-20 -101.89 141.82 34.15 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.541 0.686 . . . . 0.0 109.675 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.511 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 54.9 t -124.68 133.42 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.918 0.866 . . . . 0.0 109.623 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 t -135.15 148.37 49.71 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.596 0.712 . . . . 0.0 109.832 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -119.48 133.02 55.88 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.788 0.804 . . . . 0.0 109.549 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.8 t -63.54 -44.48 94.06 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.934 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -116.97 82.24 1.77 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.63 0.729 . . . . 0.0 110.162 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 27' ' ' ALA . 1.9 t30 -175.22 -24.03 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.0 t0 62.75 -0.56 0.55 Allowed 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 25' ' ' ASN . . . -95.04 129.78 41.99 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.642 0.735 . . . . 0.0 110.21 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -129.71 132.01 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-O 121.601 0.715 . . . . 0.0 110.056 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.14 136.47 44.58 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.444 0.64 . . . . 0.0 109.476 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -116.18 142.25 47.07 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.933 0.873 . . . . 0.0 111.197 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 51.75 48.72 22.28 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.468 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 32' ' ' VAL . 6.2 p -90.77 116.56 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-O 121.774 0.797 . . . . 0.0 109.728 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -83.2 130.42 35.09 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.852 0.834 . . . . 0.0 109.899 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.4 mt -139.61 142.0 37.1 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.664 0.745 . . . . 0.0 109.588 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.31 129.2 39.0 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.817 0.818 . . . . 0.0 110.015 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -75.51 -15.4 60.4 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.958 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -80.92 -2.07 46.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.741 -0.599 . . . . 0.0 109.66 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.495 HD13 ' NZ ' ' A' ' 46' ' ' LYS . 77.3 mt -76.56 145.57 38.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 109.982 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.2 p -85.81 166.38 16.1 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 121.622 0.725 . . . . 0.0 110.106 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.54 -43.45 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 CA-C-O 121.173 0.511 . . . . 0.0 109.779 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.61 -44.55 89.95 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.753 -0.592 . . . . 0.0 109.598 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.19 -41.15 90.64 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.757 -0.59 . . . . 0.0 109.447 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.81 -38.56 89.27 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.02 -42.54 90.4 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.792 -0.568 . . . . 0.0 109.526 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.9 p -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.495 ' NZ ' HD13 ' A' ' 38' ' ' LEU . 98.6 mttt -63.35 -41.8 98.86 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.61 -38.45 91.05 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 52' ' ' GLY . 12.0 tm-20 -54.27 -47.36 72.41 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.876 -0.515 . . . . 0.0 109.926 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 92.0 mt -66.16 -42.84 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.61 -41.95 98.25 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.971 -0.456 . . . . 0.0 110.318 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 p -94.03 -16.52 23.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.633 -0.667 . . . . 0.0 109.452 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.38 15.49 61.39 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.18 -157.27 31.84 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -111.87 123.28 49.91 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.612 0.72 . . . . 0.0 109.49 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 -23.19 67.17 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 121.226 0.536 . . . . 0.0 109.808 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.9 -42.14 99.54 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -106.55 10.91 31.09 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.498 -1.001 . . . . 0.0 109.897 -178.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.6 ttm -77.69 135.64 38.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.447 -0.783 . . . . 0.0 110.169 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -131.09 138.17 49.43 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.588 0.709 . . . . 0.0 109.641 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.514 HG11 ' SD ' ' A' ' 72' ' ' MET . 53.3 t -110.51 131.44 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-O 121.617 0.723 . . . . 0.0 109.495 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -133.57 123.58 25.38 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.734 0.778 . . . . 0.0 109.789 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.6 t -78.07 134.31 28.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-O 121.569 0.699 . . . . 0.0 109.577 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -126.38 146.74 49.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.06 0.933 . . . . 0.0 110.33 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -152.93 95.86 2.03 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.19 -129.44 10.6 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.6 p30 -98.9 7.53 45.93 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 122.089 -0.653 . . . . 0.0 109.351 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.6 m -129.36 134.58 47.95 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.89 0.853 . . . . 0.0 110.903 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.8 m -82.65 124.73 30.46 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.329 0.585 . . . . 0.0 109.469 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.6 t -66.7 -50.04 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.886 -0.509 . . . . 0.0 110.159 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -174.55 170.32 3.51 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.766 0.793 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 73' ' ' ASP . 64.7 m -116.34 127.19 54.45 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.445 0.64 . . . . 0.0 109.405 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.514 ' SD ' HG11 ' A' ' 60' ' ' VAL . 64.4 mtt -68.75 65.12 0.12 Allowed 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.481 0.658 . . . . 0.0 109.421 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 71' ' ' THR . 36.9 p-10 -82.19 -7.09 59.61 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.63 110.08 21.9 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.736 0.779 . . . . 0.0 109.523 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 43.7 p-10 -75.06 -17.07 60.54 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 36.2 p30 -93.44 -2.34 54.67 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.97 151.98 28.22 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.703 0.763 . . . . 0.0 110.462 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -85.15 159.8 20.07 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.617 0.722 . . . . 0.0 110.452 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.14 -39.8 94.8 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.37 -9.33 77.33 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -62.99 -44.5 95.87 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.723 -0.869 . . . . 0.0 109.126 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -104.8 -25.97 12.43 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.34 70.55 0.97 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.587 -0.696 . . . . 0.0 109.135 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.0 p30 -97.24 12.01 34.41 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.1 t -149.48 149.25 30.47 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.707 0.765 . . . . 0.0 110.065 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -83.52 167.83 17.03 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.481 0.657 . . . . 0.0 110.251 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.05 -1.95 85.17 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.66 154.24 34.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.826 -0.808 . . . . 0.0 110.274 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -122.18 128.7 51.54 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.759 0.79 . . . . 0.0 109.997 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.1 mt -104.58 131.47 51.95 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.431 0.634 . . . . 0.0 109.832 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -114.63 116.85 29.39 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.642 0.735 . . . . 0.0 109.62 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 87.1 t -90.91 132.26 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 121.419 0.628 . . . . 0.0 109.698 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -118.77 116.24 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 CA-C-O 121.759 0.79 . . . . 0.0 109.553 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -112.47 111.95 23.16 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.582 0.706 . . . . 0.0 110.036 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.66 179.278 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.504 ' OD1' ' NZ ' ' A' ' 36' ' ' LYS . 31.2 t70 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -129.06 147.02 50.88 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.506 -0.746 . . . . 0.0 109.243 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.9 pt -137.68 154.42 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.306 -0.871 . . . . 0.0 109.33 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -112.04 129.85 56.07 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.482 -0.761 . . . . 0.0 109.329 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 m -140.96 163.82 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.214 -0.929 . . . . 0.0 109.144 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -98.35 144.37 27.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.356 -0.84 . . . . 0.0 109.029 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.3 t -122.18 133.3 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.408 -0.807 . . . . 0.0 108.99 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.3 t -134.05 152.75 51.97 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -135.47 145.0 46.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.35 -0.844 . . . . 0.0 109.98 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.7 m -60.8 -41.32 95.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.542 -0.724 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -93.26 148.8 21.72 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.979 -1.075 . . . . 0.0 110.463 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 58.7 t-20 61.23 141.87 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.6 0.714 . . . . 0.0 110.246 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 94.8 m-20 -82.47 10.6 6.89 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.87 108.3 0.84 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.886 . . . . 0.0 109.717 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.4 t -126.01 134.03 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 121.429 -0.795 . . . . 0.0 109.132 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.81 145.8 28.67 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.437 -0.79 . . . . 0.0 108.904 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' GLU . 92.3 m-85 -113.18 140.09 48.22 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.409 -0.807 . . . . 0.0 110.198 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' PHE . 71.7 mm-40 36.7 73.36 0.09 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.36 0.6 . . . . 0.0 110.724 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 32' ' ' VAL . 3.7 m -86.86 123.77 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.163 -0.961 . . . . 0.0 109.642 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -81.52 117.31 21.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.068 -1.02 . . . . 0.0 109.591 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -137.52 137.33 38.51 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.146 -0.971 . . . . 0.0 109.452 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.44 141.9 50.26 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.438 -0.789 . . . . 0.0 109.963 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' A' ' 14' ' ' ASP . 7.9 mtmp? -73.78 -13.72 60.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.826 . . . . 0.0 109.877 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -78.48 -1.32 33.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.325 -0.859 . . . . 0.0 109.405 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.67 142.6 35.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.193 -0.942 . . . . 0.0 110.138 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 p -86.93 169.39 12.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.253 -0.904 . . . . 0.0 109.587 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.36 -43.13 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 0.0 109.219 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.85 79.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.08 -1.013 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -64.92 -39.48 93.58 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.341 -0.849 . . . . 0.0 109.276 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.9 -41.3 99.39 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.351 -0.843 . . . . 0.0 109.413 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.03 -38.8 87.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 0.0 109.473 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.9 m -60.09 -47.51 85.59 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.188 -0.945 . . . . 0.0 109.899 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.18 -42.14 96.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.947 -1.096 . . . . 0.0 109.318 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.41 -38.66 92.0 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.278 -0.889 . . . . 0.0 108.77 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' GLY . 84.6 tt0 -53.98 -44.64 70.99 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.35 -0.843 . . . . 0.0 109.115 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 31.8 mm -67.79 -44.01 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.057 -1.027 . . . . 0.0 109.921 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.94 -43.49 87.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.075 -1.016 . . . . 0.0 111.227 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 p -93.52 -14.97 25.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.864 -1.147 . . . . 0.0 109.912 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.18 0.43 7.56 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.8 -174.44 29.72 Favored Glycine 0 N--CA 1.494 2.559 0 O-C-N 121.417 -1.049 . . . . 0.0 110.876 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -95.69 124.46 39.72 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.556 -0.967 . . . . 0.0 109.538 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.08 -13.69 61.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.277 -0.889 . . . . 0.0 110.098 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.12 -5.42 76.14 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -140.46 7.63 2.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.249 -1.147 . . . . 0.0 108.814 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.1 ttm -77.96 136.15 37.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.034 -1.042 . . . . 0.0 109.938 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -116.77 145.78 43.27 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.643 -0.661 . . . . 0.0 109.358 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.0 t -117.76 133.23 65.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -133.03 139.15 47.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.235 -0.915 . . . . 0.0 109.619 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.3 t -95.96 131.46 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.861 . . . . 0.0 109.212 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.516 ' HE1' ' HG ' ' A' ' 68' ' ' CYS . 39.1 m-85 -129.46 141.16 51.08 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.483 -0.76 . . . . 0.0 109.297 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -130.32 82.06 2.04 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.65 -98.38 2.38 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -130.67 30.68 4.63 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.433 -1.039 . . . . 0.0 109.134 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.9 t -144.39 153.79 42.32 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.091 -1.005 . . . . 0.0 109.917 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.516 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 3.6 m -93.06 134.34 35.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.372 -0.83 . . . . 0.0 109.632 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 t -91.2 -51.67 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 109.364 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.2 t -172.75 164.66 5.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.194 -0.941 . . . . 0.0 109.64 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.4 m -113.11 128.45 56.49 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.545 -0.722 . . . . 0.0 109.056 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.4 mtt -71.7 81.48 0.85 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 109.929 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 39.4 p-10 -95.48 -18.64 20.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.158 -0.963 . . . . 0.0 109.518 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 52.2 t-20 -90.28 111.09 22.16 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.062 -1.024 . . . . 0.0 110.174 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.95 -26.79 62.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.279 -0.888 . . . . 0.0 109.85 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 93.1 m-20 -81.14 -2.26 47.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.163 -0.96 . . . . 0.0 109.535 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.78 155.47 23.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.134 -0.979 . . . . 0.0 109.977 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -89.81 163.7 14.94 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.381 -0.824 . . . . 0.0 110.232 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.7 tp -62.98 -42.48 99.85 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.489 -0.757 . . . . 0.0 109.644 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.21 -1.61 50.58 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -62.63 -44.66 95.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.235 -1.156 . . . . 0.0 109.44 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -105.95 -32.11 8.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.327 -0.858 . . . . 0.0 109.636 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.36 80.35 1.69 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.367 -0.833 . . . . 0.0 109.145 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -95.08 5.81 50.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.242 -0.911 . . . . 0.0 108.897 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 90.6 p -137.03 153.36 50.65 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.349 -0.845 . . . . 0.0 110.069 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.39 168.84 13.45 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.389 -0.819 . . . . 0.0 110.376 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.32 -2.04 84.79 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.46 154.78 36.82 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.353 -1.087 . . . . 0.0 109.556 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -120.22 126.01 49.57 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -102.31 133.86 46.54 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.336 -0.852 . . . . 0.0 109.022 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -115.62 123.47 48.48 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.485 -0.76 . . . . 0.0 109.119 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.84 131.81 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.385 -0.822 . . . . 0.0 108.9 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -118.92 124.55 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.443 -0.786 . . . . 0.0 109.02 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' O ' ' OG ' ' A' ' 95' ' ' SER . 97.6 m-20 -118.65 140.72 49.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.58 -0.7 . . . . 0.0 109.69 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 94' ' ' ASP . 4.8 p . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.772 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.272 0.558 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.601 ' CD1' ' NZ ' ' A' ' 33' ' ' LYS . 49.1 m-85 -127.25 140.49 52.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.645 -0.659 . . . . 0.0 109.883 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.6 pt -128.58 153.88 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -115.83 119.74 36.98 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.642 0.734 . . . . 0.0 109.219 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.17 164.72 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.486 -0.759 . . . . 0.0 109.423 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -93.41 144.19 25.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.425 -0.797 . . . . 0.0 109.516 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.8 t -123.2 133.22 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 CA-C-O 121.481 0.658 . . . . 0.0 109.347 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.0 p -139.12 163.99 30.97 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -147.99 163.64 36.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 0.0 109.82 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -68.52 147.18 52.36 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.542 -0.723 . . . . 0.0 110.319 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 25' ' ' ASN . 59.8 m80 58.93 172.8 0.07 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.438 0.637 . . . . 0.0 110.338 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' HIS . 98.9 m-20 57.95 147.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.635 0.731 . . . . 0.0 110.636 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -94.95 2.8 55.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.331 -0.855 . . . . 0.0 108.827 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 107.18 0.6 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 109.662 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -130.47 134.17 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.511 -0.743 . . . . 0.0 109.739 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.63 153.48 22.83 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.609 -0.682 . . . . 0.0 109.182 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -128.38 151.03 49.82 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.76 0.791 . . . . 0.0 110.619 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 41.29 60.9 1.94 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.294 0.568 . . . . 0.0 110.78 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 32' ' ' VAL . 3.3 m -78.1 127.72 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 121.037 -1.039 . . . . 0.0 109.625 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.601 ' NZ ' ' CD1' ' A' ' 15' ' ' PHE . 65.2 tttm -88.78 116.39 27.01 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 110.08 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.9 mt -134.94 135.57 41.6 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.54 -0.725 . . . . 0.0 109.351 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 143.77 52.77 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.726 0.774 . . . . 0.0 109.987 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.63 -30.25 70.48 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.666 -0.646 . . . . 0.0 109.799 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.96 -0.67 9.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.593 -0.692 . . . . 0.0 109.962 -178.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.9 mt -75.74 136.89 40.31 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.036 -1.04 . . . . 0.0 109.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.7 p -86.44 167.89 14.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.461 -0.774 . . . . 0.0 110.279 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.24 -43.86 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.647 -0.658 . . . . 0.0 109.913 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.57 95.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.08 -1.012 . . . . 0.0 109.362 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -64.71 -37.91 89.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 0.0 109.212 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.441 HD22 HD13 ' A' ' 79' ' ' LEU . 55.2 tp -63.16 -40.17 96.76 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.324 -0.86 . . . . 0.0 109.423 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.17 -38.81 90.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.873 . . . . 0.0 109.642 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -60.05 -45.51 92.63 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.143 -0.973 . . . . 0.0 109.066 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.25 -43.2 98.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.866 . . . . 0.0 109.024 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.12 -38.84 91.93 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.476 -0.765 . . . . 0.0 109.382 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 52' ' ' GLY . 83.6 tt0 -53.43 -47.68 69.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.929 . . . . 0.0 109.429 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.43 -43.66 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.135 -0.978 . . . . 0.0 109.068 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.6 -42.11 98.27 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.499 -0.75 . . . . 0.0 110.292 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.512 ' C ' ' H ' ' A' ' 53' ' ' GLY . 59.0 p -92.18 -16.72 25.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 109.285 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.89 -8.77 0.81 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -75.4 -173.1 32.74 Favored Glycine 0 N--CA 1.492 2.413 0 O-C-N 121.278 -1.131 . . . . 0.0 110.915 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.5 t -87.64 126.07 34.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.492 -1.005 . . . . 0.0 109.957 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.69 85.19 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.535 0.683 . . . . 0.0 109.842 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.55 97.38 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 57' ' ' THR . 91.1 m -91.6 -2.18 57.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.019 -1.283 . . . . 0.0 109.215 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttm -81.98 142.47 32.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.352 -0.843 . . . . 0.0 109.752 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -128.08 143.35 51.06 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.594 -0.691 . . . . 0.0 109.15 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.541 HG11 ' SD ' ' A' ' 72' ' ' MET . 56.0 t -113.09 133.55 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 109.474 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -133.45 151.19 51.76 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.617 -0.677 . . . . 0.0 109.197 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.3 t -102.85 127.63 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.605 -0.685 . . . . 0.0 109.34 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -134.97 147.28 49.7 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.563 0.697 . . . . 0.0 109.65 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -133.0 80.41 1.89 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.08 -93.21 1.87 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 59.0 t0 -136.28 18.91 3.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.382 -1.069 . . . . 0.0 108.8 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.3 m -124.23 132.14 53.57 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 121.702 0.763 . . . . 0.0 110.266 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.1 t -80.56 134.04 35.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.602 -0.686 . . . . 0.0 110.365 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.8 t -98.2 -61.97 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.427 -0.796 . . . . 0.0 109.257 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.0 p -168.33 163.78 12.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.733 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.1 m -111.72 127.15 55.69 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.529 -0.732 . . . . 0.0 109.752 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.541 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.9 mtt -64.08 82.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.608 0.718 . . . . 0.0 110.385 -179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.9 t0 -96.98 -24.78 15.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.426 -0.796 . . . . 0.0 109.114 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -85.14 105.5 15.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.198 -0.939 . . . . 0.0 110.48 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.02 -32.91 73.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.582 -0.699 . . . . 0.0 109.22 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -74.26 -2.58 25.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.555 -0.716 . . . . 0.0 109.542 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.46 153.15 22.09 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.23 -0.919 . . . . 0.0 110.719 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -85.97 161.35 19.04 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.634 0.73 . . . . 0.0 110.664 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.441 HD13 HD22 ' A' ' 43' ' ' LEU . 38.6 tp -64.31 -42.43 96.34 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.534 -0.729 . . . . 0.0 109.535 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.93 -4.47 58.89 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -63.01 -45.77 90.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.474 -1.015 . . . . 0.0 109.533 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -104.87 -28.66 10.99 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.42 -0.8 . . . . 0.0 109.321 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.32 68.46 0.81 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.399 -0.813 . . . . 0.0 109.132 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -91.37 5.2 50.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.404 -0.81 . . . . 0.0 109.142 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 71.5 m -136.19 147.24 47.57 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.338 -0.851 . . . . 0.0 109.784 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -85.93 170.15 12.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.576 -0.702 . . . . 0.0 110.374 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.29 -3.28 86.73 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.32 159.56 30.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.21 -1.171 . . . . 0.0 110.146 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -122.37 127.41 49.71 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 121.588 0.708 . . . . 0.0 109.229 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -104.84 136.95 43.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.628 -0.67 . . . . 0.0 109.194 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -118.91 131.76 56.06 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.669 -0.645 . . . . 0.0 109.483 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.7 t -106.14 130.66 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.7 t -111.67 113.22 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -127.86 107.31 9.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.658 -0.651 . . . . 0.0 109.543 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.115 -0.945 . . . . 0.0 108.871 179.656 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.498 1.946 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -124.44 150.15 45.99 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 pt -126.27 150.73 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.581 -0.699 . . . . 0.0 109.464 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -95.75 114.23 25.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.449 -0.782 . . . . 0.0 109.159 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.36 163.27 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.466 -0.771 . . . . 0.0 109.613 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -106.16 144.89 32.21 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.86 133.33 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.481 -0.762 . . . . 0.0 108.978 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.4 p -142.77 163.09 33.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.292 -0.88 . . . . 0.0 109.492 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -132.95 155.82 48.41 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.329 -0.857 . . . . 0.0 109.634 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.533 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 40.4 m -84.61 -75.02 0.36 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.477 -0.765 . . . . 0.0 109.601 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -63.46 -44.31 94.86 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.9 . . . . 0.0 109.72 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -79.07 155.65 28.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.965 . . . . 0.0 109.847 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -108.27 19.01 20.42 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.89 112.8 17.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.126 -0.984 . . . . 0.0 108.986 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.1 t -126.12 131.56 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.542 -0.724 . . . . 0.0 109.238 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.25 130.27 56.86 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' GLU . 96.0 m-85 -99.85 145.12 28.11 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.396 -0.815 . . . . 0.0 110.485 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' PHE . 6.6 mt-10 38.69 61.36 1.21 Allowed 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.264 0.554 . . . . 0.0 109.99 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.7 p -94.25 129.99 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.092 -1.005 . . . . 0.0 109.64 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -83.61 130.44 34.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 0.0 110.037 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.2 mt -135.79 131.74 35.84 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.05 132.97 48.96 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.277 -0.89 . . . . 0.0 109.607 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -75.55 -14.98 60.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.566 -0.709 . . . . 0.0 109.462 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.14 -2.8 49.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.42 -0.8 . . . . 0.0 109.833 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.3 mt -78.93 145.79 33.85 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 110.17 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 p -84.45 169.11 14.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.403 -0.81 . . . . 0.0 110.107 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.51 HG12 ' HZ2' ' A' ' 44' ' ' LYS . 48.1 t -61.67 -44.92 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.464 -0.773 . . . . 0.0 109.349 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.71 80.67 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.273 -0.892 . . . . 0.0 109.146 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.07 -38.59 91.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.23 -0.919 . . . . 0.0 109.18 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.39 -42.08 99.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.329 -0.857 . . . . 0.0 109.547 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.51 ' HZ2' HG12 ' A' ' 40' ' ' VAL . 60.2 mttp -61.17 -39.49 90.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.132 -0.98 . . . . 0.0 109.633 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.0 m -60.01 -47.03 87.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.115 -0.991 . . . . 0.0 109.036 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -63.25 -43.13 98.9 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.266 -0.896 . . . . 0.0 109.173 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.41 -38.6 91.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.326 -0.859 . . . . 0.0 109.128 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 52' ' ' GLY . 47.1 tp10 -53.57 -45.67 70.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.506 -0.746 . . . . 0.0 109.541 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.9 mm -64.82 -47.14 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.024 -1.048 . . . . 0.0 109.91 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.71 -42.22 86.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.275 -0.891 . . . . 0.0 110.98 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.9 p -87.31 -33.44 19.21 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.886 -1.134 . . . . 0.0 109.867 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 71.92 6.55 64.09 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.465 ' O ' ' OE2' ' A' ' 48' ' ' GLU . . . -77.83 -128.18 0.42 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.458 ' O ' ' SD ' ' A' ' 58' ' ' MET . 8.4 t -135.81 123.82 22.83 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.485 -1.009 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.07 -39.48 82.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 110.172 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.96 -43.94 70.53 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.163 -1.017 . . . . 0.0 110.905 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.3 m -86.09 -1.79 57.72 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.818 -1.401 . . . . 0.0 110.145 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.458 ' SD ' ' O ' ' A' ' 54' ' ' CYS . 24.1 mtp -86.2 146.64 26.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.212 -0.93 . . . . 0.0 110.357 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -132.19 117.81 18.73 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.7 t -101.74 133.58 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.45 140.99 49.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.584 -0.698 . . . . 0.0 109.233 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -91.18 132.09 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.41 -0.806 . . . . 0.0 109.389 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.65 145.81 51.05 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.905 0.859 . . . . 0.0 109.977 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -143.47 90.9 2.2 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.54 -129.06 13.6 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.2 p30 -97.03 10.59 38.84 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.237 -1.154 . . . . 0.0 110.201 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.1 m -125.35 130.84 52.74 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.354 -0.841 . . . . 0.0 109.639 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 p -86.67 123.86 32.31 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.332 -0.855 . . . . 0.0 109.557 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' SER . 69.4 t -64.46 -46.3 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.188 -0.945 . . . . 0.0 109.658 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 163.9 171.85 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.487 -0.758 . . . . 0.0 109.068 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.6 m -108.93 135.75 49.61 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.462 -0.774 . . . . 0.0 109.207 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.3 mtt -75.72 124.1 26.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.35 -0.844 . . . . 0.0 109.53 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -140.12 -27.95 0.74 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.544 -0.722 . . . . 0.0 109.976 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -87.91 110.34 20.47 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.091 -1.006 . . . . 0.0 110.317 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 54.4 t-20 -64.98 -36.17 83.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.457 -0.777 . . . . 0.0 109.443 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.92 -1.01 1.75 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.254 -0.904 . . . . 0.0 109.636 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.97 148.73 21.76 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.225 -0.922 . . . . 0.0 109.589 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -89.13 161.36 16.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.314 -0.866 . . . . 0.0 110.188 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.35 -41.86 98.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.445 -0.785 . . . . 0.0 109.524 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.12 -4.62 56.45 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -62.11 -45.77 92.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.247 -1.149 . . . . 0.0 109.124 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -105.09 -28.59 10.93 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.47 -0.769 . . . . 0.0 109.591 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.63 72.9 0.93 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.454 -0.779 . . . . 0.0 109.455 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.5 p30 -101.84 12.13 37.52 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.4 -0.812 . . . . 0.0 109.386 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.1 t -138.12 147.45 43.97 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.453 -0.779 . . . . 0.0 109.514 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -82.58 166.54 19.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.838 . . . . 0.0 110.132 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.88 -1.98 83.81 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.5 mt -76.93 155.58 32.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.309 -1.112 . . . . 0.0 109.489 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -123.07 134.18 54.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.564 -0.71 . . . . 0.0 109.449 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.4 mt -105.28 127.62 53.04 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.533 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 79.3 t60 -114.06 117.82 32.35 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.618 -0.676 . . . . 0.0 109.64 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -87.19 124.42 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.8 t -111.13 109.95 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.587 -0.696 . . . . 0.0 109.188 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -99.49 112.58 24.76 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.539 -0.726 . . . . 0.0 109.489 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.488 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.195 0.521 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -141.08 146.88 37.7 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.439 -0.788 . . . . 0.0 109.485 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.0 pt -138.04 160.73 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.469 -0.769 . . . . 0.0 109.485 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -109.58 122.23 46.97 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -136.87 161.91 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.443 -0.785 . . . . 0.0 109.289 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -102.7 144.77 30.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.685 . . . . 0.0 109.433 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.9 t -121.23 131.42 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.8 t -135.47 149.42 49.55 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.516 HD22 HG22 ' A' ' 51' ' ' THR . 40.0 p30 -133.85 151.88 51.68 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.279 -0.888 . . . . 0.0 109.565 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 25' ' ' ASN . 16.8 p -77.22 168.85 19.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.629 -0.669 . . . . 0.0 110.116 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.9 m80 57.91 -70.79 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 121.205 0.526 . . . . 0.0 110.587 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 23' ' ' SER . 99.8 m-20 -62.04 143.44 56.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.276 -0.89 . . . . 0.0 110.47 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -94.11 3.81 54.77 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.483 -0.761 . . . . 0.0 109.05 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.32 116.3 12.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -0.779 . . . . 0.0 109.768 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.24 133.55 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.47 137.69 44.01 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -114.0 147.11 39.18 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.493 -0.755 . . . . 0.0 110.816 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 43.7 68.56 0.51 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.719 -0.613 . . . . 0.0 110.778 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.508 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.1 p -94.91 123.41 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -83.79 118.18 23.76 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.155 -0.965 . . . . 0.0 109.83 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.2 mt -135.23 134.31 39.91 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.531 -0.731 . . . . 0.0 109.222 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 141.35 53.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.42 -0.8 . . . . 0.0 109.653 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -70.8 -14.7 62.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.47 -0.769 . . . . 0.0 109.929 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -80.87 -0.36 38.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.487 -0.758 . . . . 0.0 109.944 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.42 143.73 38.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.173 -0.954 . . . . 0.0 109.997 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.6 p -86.15 165.47 16.54 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.615 0.722 . . . . 0.0 110.161 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.86 -43.78 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.679 -0.638 . . . . 0.0 109.35 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.63 89.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.469 -0.77 . . . . 0.0 109.506 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -64.11 -37.21 86.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.321 -0.862 . . . . 0.0 109.093 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.27 -41.06 98.15 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.48 -37.65 81.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.407 -0.808 . . . . 0.0 109.261 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.5 m -59.62 -47.71 84.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.341 -0.849 . . . . 0.0 109.284 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.88 -43.41 98.87 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.426 -0.796 . . . . 0.0 109.065 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.18 -39.6 94.34 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.1 tt0 -50.79 -49.58 58.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.392 -0.817 . . . . 0.0 109.011 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.39 -43.31 94.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.362 -0.836 . . . . 0.0 109.845 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -62.49 -45.26 93.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.379 -0.826 . . . . 0.0 110.253 -178.571 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.516 HG22 HD22 ' A' ' 22' ' ' ASN . 34.2 p -93.78 -14.33 26.34 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.84 -1.162 . . . . 0.0 109.648 -179.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.62 -6.37 1.34 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -72.48 -178.32 32.61 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.6 t -86.71 126.17 34.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.556 -0.967 . . . . 0.0 110.008 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.39 -35.68 81.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.534 -0.729 . . . . 0.0 109.989 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.16 -35.23 91.22 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.3 p -97.76 1.05 47.99 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.201 -1.176 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.0 ttm -81.71 141.16 33.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.81 . . . . 0.0 109.909 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -125.01 144.08 50.57 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.469 HG11 ' SD ' ' A' ' 72' ' ' MET . 52.0 t -115.39 131.41 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -131.98 130.01 40.91 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.23 133.3 30.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 109.514 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -126.66 137.02 53.23 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.526 0.679 . . . . 0.0 109.331 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -131.35 89.6 2.74 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.64 -108.41 3.6 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -121.69 -4.54 9.21 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.67 -0.9 . . . . 0.0 109.981 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.3 m -121.69 140.2 52.6 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.527 -0.733 . . . . 0.0 110.564 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -75.02 147.06 41.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.74 -0.6 . . . . 0.0 109.442 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 ' N ' ' A' ' 70' ' ' SER . 35.0 m -106.87 -45.3 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.531 -0.731 . . . . 0.0 109.729 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.546 ' N ' HG23 ' A' ' 69' ' ' VAL . 92.0 p -162.79 162.54 26.65 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.138 -0.976 . . . . 0.0 109.824 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ASP . 90.3 m -117.2 130.4 56.56 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.469 ' SD ' HG11 ' A' ' 60' ' ' VAL . 67.1 mtt -62.7 69.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.44 -0.787 . . . . 0.0 110.403 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' THR . 99.7 m-20 -64.66 -39.4 93.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.495 -0.753 . . . . 0.0 109.633 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -86.08 112.35 21.19 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.426 -0.796 . . . . 0.0 109.888 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 55.4 p30 -74.73 -14.15 60.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.422 -0.799 . . . . 0.0 109.689 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 94.7 m-20 -89.31 -1.97 58.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.354 -0.841 . . . . 0.0 109.534 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.63 156.16 32.91 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.327 -0.858 . . . . 0.0 110.033 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -85.64 162.14 18.95 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.56 -0.712 . . . . 0.0 110.287 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.1 -42.36 99.57 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.647 -0.658 . . . . 0.0 109.948 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.24 -5.03 75.44 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -62.86 -44.33 96.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -1.182 . . . . 0.0 109.205 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -101.85 -45.54 5.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.403 -0.811 . . . . 0.0 109.792 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.89 86.44 5.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.24 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.533 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.8 OUTLIER -102.15 8.58 40.63 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.5 t -135.98 146.92 47.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.465 -0.772 . . . . 0.0 109.353 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -81.14 166.81 20.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.495 -0.753 . . . . 0.0 110.611 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.56 -8.13 80.28 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.0 mt -78.06 158.59 29.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.461 -1.023 . . . . 0.0 109.679 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -130.66 143.89 51.05 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -107.72 126.12 52.22 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.549 -0.719 . . . . 0.0 109.285 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -98.08 128.09 44.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.468 -0.77 . . . . 0.0 109.366 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.4 131.06 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.487 -0.758 . . . . 0.0 108.991 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.8 t -115.16 130.08 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.606 -0.684 . . . . 0.0 109.22 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -126.15 108.05 10.96 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 121.392 0.615 . . . . 0.0 109.553 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.169 179.687 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.2 t0 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.061 0.458 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -112.65 144.21 42.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.496 -0.753 . . . . 0.0 109.363 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.3 pt -125.57 155.05 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.526 -0.734 . . . . 0.0 109.585 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -105.4 117.52 34.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.505 -0.747 . . . . 0.0 109.51 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -136.48 163.61 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.44 -0.787 . . . . 0.0 109.096 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -101.39 144.61 29.99 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.526 -0.734 . . . . 0.0 109.287 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.48 135.5 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 121.34 -0.85 . . . . 0.0 109.081 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.8 t -134.55 175.28 9.68 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 27' ' ' ALA . 2.4 p30 -146.64 162.06 39.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.191 -0.943 . . . . 0.0 109.568 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -88.74 -76.72 0.39 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.56 -0.713 . . . . 0.0 110.51 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -60.64 -47.21 87.23 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.336 -0.852 . . . . 0.0 110.362 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 60.2 t-20 -75.41 144.61 42.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 0.0 110.433 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 52.0 t0 -97.3 1.95 50.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.357 -0.839 . . . . 0.0 109.266 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.507 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . -69.79 130.74 43.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.368 -0.833 . . . . 0.0 109.84 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.22 134.61 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.388 -0.82 . . . . 0.0 109.804 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.38 140.26 44.77 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -117.29 146.79 43.09 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.519 -0.738 . . . . 0.0 110.468 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 40.08 67.65 0.46 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.825 -0.547 . . . . 0.0 110.264 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.3 p -100.41 123.87 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.575 -0.703 . . . . 0.0 109.412 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -78.13 131.01 37.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.267 -0.896 . . . . 0.0 110.361 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.5 mt -138.86 125.13 20.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.371 -0.83 . . . . 0.0 108.94 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.479 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -64.35 138.82 58.62 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.379 -0.826 . . . . 0.0 109.593 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -75.94 -15.03 60.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.605 -0.684 . . . . 0.0 109.491 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -80.91 0.31 35.85 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.397 -0.815 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.479 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 88.5 mt -76.58 144.08 39.86 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.261 -0.899 . . . . 0.0 110.655 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.1 p -88.15 164.71 15.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.541 -0.724 . . . . 0.0 109.952 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.78 -44.55 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.451 -0.78 . . . . 0.0 110.033 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.48 94.44 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.125 -0.984 . . . . 0.0 109.863 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.97 -36.45 83.36 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.328 -0.857 . . . . 0.0 109.164 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.64 -41.57 99.11 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.489 -0.757 . . . . 0.0 109.263 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.18 -40.31 95.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.397 -0.815 . . . . 0.0 109.803 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.8 m -61.04 -46.41 90.8 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.132 -0.98 . . . . 0.0 109.885 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -62.92 -46.75 86.33 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.183 -0.948 . . . . 0.0 109.4 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.71 -38.55 91.38 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.422 -0.799 . . . . 0.0 109.195 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' GLY . 38.2 tt0 -51.15 -51.12 56.65 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.343 -0.848 . . . . 0.0 109.648 -179.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.46 -42.67 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.347 -0.845 . . . . 0.0 110.227 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.44 -41.61 98.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.117 -0.99 . . . . 0.0 110.201 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.488 ' C ' ' H ' ' A' ' 53' ' ' GLY . 16.1 p -91.93 -12.6 32.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.984 -1.072 . . . . 0.0 108.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.42 -8.48 1.51 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -71.03 176.4 37.12 Favored Glycine 0 N--CA 1.492 2.378 0 O-C-N 121.345 -1.091 . . . . 0.0 110.553 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.94 126.19 34.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.545 -0.973 . . . . 0.0 109.36 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.91 72.52 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.347 -0.846 . . . . 0.0 110.157 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.37 -35.54 91.56 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.6 p -98.72 -10.71 22.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.281 -1.129 . . . . 0.0 109.652 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.2 ttp -86.9 128.77 35.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.148 -0.97 . . . . 0.0 109.523 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -113.9 150.6 33.43 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.573 -0.704 . . . . 0.0 109.466 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.1 t -115.23 132.89 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -134.27 147.0 50.57 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.7 132.77 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.272 -0.893 . . . . 0.0 109.423 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -127.02 138.62 53.27 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.777 0.799 . . . . 0.0 109.781 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -141.36 101.34 3.98 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.03 -102.4 2.39 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -131.42 -3.6 3.81 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.514 -0.992 . . . . 0.0 109.585 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.0 m -116.41 139.36 50.51 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.571 -0.706 . . . . 0.0 110.59 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.75 120.35 21.8 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.442 -0.786 . . . . 0.0 109.778 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.08 -48.74 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.11 -0.994 . . . . 0.0 109.687 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.6 p -173.77 164.28 4.31 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.414 -0.804 . . . . 0.0 109.412 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.7 m -113.38 126.55 55.48 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.53 -0.732 . . . . 0.0 109.072 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.8 mtt -63.84 83.96 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.238 -0.914 . . . . 0.0 110.056 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 47.4 t0 -95.78 -24.2 16.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.328 -0.857 . . . . 0.0 109.542 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.03 112.73 21.51 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.27 -0.894 . . . . 0.0 110.384 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -74.84 -18.86 60.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.373 -0.829 . . . . 0.0 109.758 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -91.01 -1.83 57.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.322 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.81 152.31 24.69 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.352 -0.842 . . . . 0.0 110.25 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -89.88 159.98 16.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 0.0 109.99 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.03 -42.04 99.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.407 -0.808 . . . . 0.0 110.303 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.23 -21.97 68.71 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 120.25 -0.976 . . . . 0.0 111.223 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.62 -49.08 78.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.871 -1.37 . . . . 0.0 110.4 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -83.08 -44.01 15.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.153 -0.967 . . . . 0.0 110.304 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.24 138.84 36.75 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.302 -0.874 . . . . 0.0 109.95 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -155.28 22.6 0.42 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.6 t -151.56 148.65 28.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.287 -0.883 . . . . 0.0 109.767 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.1 p30 -84.25 162.2 20.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.256 -0.903 . . . . 0.0 110.232 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.86 -4.1 78.28 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.29 153.82 37.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.369 -1.077 . . . . 0.0 109.72 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -124.3 129.84 51.46 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.701 -0.625 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.3 mt -104.2 125.37 50.44 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.45 -0.781 . . . . 0.0 109.016 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -100.98 129.27 46.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.334 -0.853 . . . . 0.0 109.341 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.9 t -103.76 128.11 57.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.473 -0.767 . . . . 0.0 109.097 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.0 t -106.25 109.91 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -97.8 110.46 23.02 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.261 -0.9 . . . . 0.0 110.171 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 117.849 -1.072 . . . . 0.0 108.709 179.689 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 t0 . . . . . 0 N--CA 1.487 1.391 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 35' ' ' ALA . 88.2 m-85 -126.78 140.89 52.03 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.451 HD11 ' HZ3' ' A' ' 36' ' ' LYS . 41.9 pt -132.25 164.46 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.617 -0.677 . . . . 0.0 109.872 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 52.8 mtmt -101.33 123.92 46.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.551 -0.718 . . . . 0.0 109.787 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -138.89 161.91 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.635 -0.666 . . . . 0.0 109.269 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -101.73 140.65 35.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.565 -0.709 . . . . 0.0 109.114 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.0 t -126.31 132.52 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-O 121.42 0.628 . . . . 0.0 109.372 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 m -130.68 154.74 47.61 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -136.53 140.85 43.28 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.812 0.815 . . . . 0.0 109.84 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 25' ' ' ASN . 29.2 t -72.35 161.73 30.44 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.355 0.598 . . . . 0.0 110.559 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 94' ' ' ASP . 36.2 m-70 65.64 -65.37 0.17 Allowed 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.15 0.5 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 23' ' ' SER . 63.7 t-20 -66.2 140.29 58.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.278 -0.889 . . . . 0.0 110.37 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 96.1 m-20 -89.5 -3.05 58.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.478 -0.764 . . . . 0.0 109.14 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.86 130.11 40.25 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.254 -0.904 . . . . 0.0 109.227 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.3 t -134.85 134.99 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.434 -0.791 . . . . 0.0 109.524 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.57 146.41 29.67 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.644 -0.66 . . . . 0.0 109.232 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -130.36 150.17 51.71 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.653 0.74 . . . . 0.0 110.42 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 43.28 49.33 5.84 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.358 0.599 . . . . 0.0 110.17 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 32' ' ' VAL . 11.1 p -85.66 122.17 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.278 -0.889 . . . . 0.0 109.271 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -76.71 127.22 32.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.262 -0.899 . . . . 0.0 109.994 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -134.72 133.05 39.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.577 -0.702 . . . . 0.0 109.431 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.527 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -70.72 139.01 51.02 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.713 0.768 . . . . 0.0 110.04 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' HZ3' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -76.75 -16.76 59.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.619 -0.675 . . . . 0.0 109.983 -179.799 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -81.77 -1.62 47.84 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.339 -0.851 . . . . 0.0 109.447 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.527 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 90.4 mt -77.72 144.22 37.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.145 -0.972 . . . . 0.0 110.392 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 p -85.13 170.16 13.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.51 -0.744 . . . . 0.0 110.082 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.06 -43.45 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.94 81.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.376 -0.828 . . . . 0.0 109.522 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -66.24 -39.05 89.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.314 -0.866 . . . . 0.0 109.122 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.7 tp -62.55 -42.4 99.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.467 -0.771 . . . . 0.0 109.429 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.68 -37.71 85.1 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.478 -0.764 . . . . 0.0 109.417 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.0 m -61.04 -46.78 89.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.342 -0.849 . . . . 0.0 109.369 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.27 -43.43 94.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 108.982 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 99.9 mt -64.93 -38.12 89.9 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.563 -0.711 . . . . 0.0 109.099 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 52' ' ' GLY . 42.0 tt0 -54.14 -47.94 71.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.54 -0.725 . . . . 0.0 109.38 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.87 -43.24 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.319 -0.863 . . . . 0.0 109.491 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.7 mt -63.31 -41.4 98.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.498 -0.751 . . . . 0.0 110.36 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.511 ' C ' ' H ' ' A' ' 53' ' ' GLY . 12.1 p -93.81 -14.15 26.5 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.105 -0.997 . . . . 0.0 109.205 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 64.41 -5.21 1.11 Allowed Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -76.77 -174.91 40.45 Favored Glycine 0 N--CA 1.489 2.192 0 O-C-N 121.324 -1.104 . . . . 0.0 110.722 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -89.61 127.2 35.87 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.557 -0.967 . . . . 0.0 109.374 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' HB2' ' OE1' ' A' ' 48' ' ' GLU . . . -63.39 -34.37 77.58 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.608 -0.683 . . . . 0.0 109.868 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.97 -36.27 93.06 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.3 p -96.9 -10.35 26.61 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.973 -1.31 . . . . 0.0 109.505 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttp -86.73 126.94 34.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.195 -0.941 . . . . 0.0 109.934 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -108.58 149.01 29.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.548 -0.72 . . . . 0.0 109.583 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.65 132.32 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -130.77 138.2 49.82 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.5 t -90.51 132.66 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.548 -0.72 . . . . 0.0 109.583 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -124.81 146.55 49.19 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.954 0.883 . . . . 0.0 109.772 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -147.25 99.24 3.12 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.13 -130.77 22.15 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 36.3 p-10 -99.53 10.95 40.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.48 -1.012 . . . . 0.0 109.202 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -127.27 133.81 50.13 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.549 -0.719 . . . . 0.0 110.02 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 m -83.67 128.04 34.23 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.434 -0.791 . . . . 0.0 110.206 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' SER . 93.8 t -66.7 -44.32 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.524 -0.735 . . . . 0.0 109.327 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.5 m 164.2 171.61 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.476 -0.765 . . . . 0.0 109.712 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.7 m -111.93 130.7 55.75 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.459 0.647 . . . . 0.0 109.396 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -66.34 105.74 1.52 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 110.253 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -111.96 -29.56 7.59 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -87.88 107.91 18.91 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.309 -0.869 . . . . 0.0 110.023 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.04 -35.09 77.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.695 -0.628 . . . . 0.0 110.002 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -73.45 -1.01 16.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.285 -0.884 . . . . 0.0 110.018 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.02 157.27 20.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.099 -1.001 . . . . 0.0 110.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -86.09 157.97 19.92 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.677 0.751 . . . . 0.0 110.665 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.75 -41.9 99.42 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.702 -0.624 . . . . 0.0 109.689 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.91 -3.66 30.2 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -63.58 -44.09 95.07 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.207 -1.172 . . . . 0.0 109.219 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.93 -28.13 11.29 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.61 74.51 1.08 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.604 -0.685 . . . . 0.0 109.332 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -103.44 11.07 36.92 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.2 t -135.78 145.81 46.93 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.493 -0.755 . . . . 0.0 109.848 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 17' ' ' LYS . 29.0 t70 -83.27 158.56 22.2 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.53 0.681 . . . . 0.0 110.782 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.71 9.39 71.78 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.9 mt -79.23 155.33 28.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.405 -1.056 . . . . 0.0 110.438 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -120.44 128.64 53.36 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.1 mt -106.21 127.97 53.6 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -105.02 113.46 27.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.619 -0.676 . . . . 0.0 109.327 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.9 t -89.81 129.37 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.374 -0.829 . . . . 0.0 109.23 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.21 102.94 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.65 -0.656 . . . . 0.0 109.506 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.409 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 55.0 t0 -98.95 112.34 24.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.469 -0.769 . . . . 0.0 109.699 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 118.103 -0.951 . . . . 0.0 108.792 179.683 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.513 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -124.58 159.55 30.43 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.831 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.0 pt -125.1 159.84 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.58 -0.7 . . . . 0.0 109.502 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -95.91 117.99 31.67 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.467 -0.77 . . . . 0.0 109.192 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -141.42 163.72 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.374 -0.829 . . . . 0.0 109.732 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -109.08 148.43 30.84 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.6 t -122.36 131.99 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.339 -0.851 . . . . 0.0 108.971 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.7 m -131.34 158.06 41.7 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.724 HD22 HD21 ' A' ' 25' ' ' ASN . 58.3 t-20 -132.86 132.23 41.87 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.479 -0.763 . . . . 0.0 109.535 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 11.4 t -62.07 -42.96 99.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.618 -0.676 . . . . 0.0 109.757 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.532 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 42.2 m80 -74.87 -98.31 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.281 -0.887 . . . . 0.0 110.874 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.724 HD21 HD22 ' A' ' 22' ' ' ASN . 21.1 p30 -55.85 156.71 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 110.22 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 34.5 p-10 -89.47 4.74 48.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.543 -0.723 . . . . 0.0 109.266 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.23 111.43 0.96 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.279 -0.888 . . . . 0.0 109.154 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.7 t -124.94 132.42 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.547 -0.721 . . . . 0.0 109.29 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.92 136.85 41.99 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -113.07 134.83 54.35 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.517 -0.739 . . . . 0.0 110.123 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 54.4 50.9 15.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.664 -0.647 . . . . 0.0 110.741 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 32' ' ' VAL . 8.5 p -91.82 122.55 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.058 -1.026 . . . . 0.0 108.466 178.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -90.36 137.67 32.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.16 -0.963 . . . . 0.0 110.002 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.2 mt -136.45 143.33 43.82 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.434 -0.791 . . . . 0.0 109.406 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.5 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -72.73 132.46 43.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 0.0 109.597 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' A' ' 38' ' ' LEU . 54.0 mtmt -65.32 -38.53 90.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.4 -0.812 . . . . 0.0 110.22 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -61.33 1.22 0.21 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.473 -0.767 . . . . 0.0 110.269 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.5 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 98.7 mt -76.88 142.8 40.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.124 -0.985 . . . . 0.0 109.555 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.4 p -84.88 164.14 18.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.357 -0.84 . . . . 0.0 110.114 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.97 -43.8 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.627 -0.67 . . . . 0.0 109.642 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.53 94.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.0 109.553 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.6 -37.2 85.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.157 -0.965 . . . . 0.0 109.106 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.485 HD22 HD13 ' A' ' 79' ' ' LEU . 47.0 tp -62.24 -42.15 99.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.316 -0.865 . . . . 0.0 109.303 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.19 -39.53 90.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.261 -0.899 . . . . 0.0 109.312 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -60.76 -46.57 89.93 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.404 -0.81 . . . . 0.0 109.592 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.78 -44.04 94.55 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.223 -0.923 . . . . 0.0 109.241 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.97 -39.8 94.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.323 -0.861 . . . . 0.0 108.933 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.6 tt0 -49.72 -49.2 48.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.413 -0.804 . . . . 0.0 109.028 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.58 -43.35 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 109.313 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.74 -42.65 99.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.347 -0.846 . . . . 0.0 110.366 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.8 p -93.78 -15.08 25.5 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.911 -1.118 . . . . 0.0 109.908 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.25 7.52 39.0 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.82 -162.06 34.67 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -102.3 128.53 48.81 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.464 -1.021 . . . . 0.0 109.909 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.27 83.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.379 -0.826 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.75 93.16 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.3 p -96.86 6.04 49.41 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.089 -1.242 . . . . 0.0 108.951 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 53.4 ttm -82.18 137.51 34.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.414 -0.804 . . . . 0.0 110.095 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -129.7 143.23 50.72 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.522 HG11 ' SD ' ' A' ' 72' ' ' MET . 50.7 t -115.15 132.35 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -130.06 127.23 39.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.588 -0.695 . . . . 0.0 109.402 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.79 131.6 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.452 -0.78 . . . . 0.0 109.751 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -128.96 144.73 51.27 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 121.554 0.692 . . . . 0.0 109.749 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -146.31 80.72 1.57 Allowed 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.57 -133.38 11.7 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -96.54 5.41 50.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.261 -1.14 . . . . 0.0 109.932 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.7 m -125.34 135.71 52.73 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.452 -0.78 . . . . 0.0 110.037 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -79.01 132.52 36.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.454 -0.779 . . . . 0.0 109.809 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -74.14 -54.62 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.141 -0.974 . . . . 0.0 109.634 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 p -173.64 166.55 4.56 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.362 -0.836 . . . . 0.0 109.437 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 85.9 m -114.13 130.36 56.59 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.522 -0.736 . . . . 0.0 109.25 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.522 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.2 mtt -70.89 85.88 0.69 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 0.0 109.657 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.6 t0 -94.5 -23.48 17.68 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.475 -0.766 . . . . 0.0 109.628 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 77' ' ' ALA . 25.0 t-20 -91.87 106.74 18.7 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.147 -0.971 . . . . 0.0 110.211 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -69.5 -25.23 63.95 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.339 -0.85 . . . . 0.0 109.308 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -79.07 -2.61 41.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.41 -0.806 . . . . 0.0 109.793 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 74' ' ' ASN . . . -87.01 155.64 20.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.202 -0.937 . . . . 0.0 109.996 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -83.06 160.42 21.94 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.288 -0.882 . . . . 0.0 110.088 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.485 HD13 HD22 ' A' ' 43' ' ' LEU . 42.1 tp -62.66 -43.12 99.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.369 -0.832 . . . . 0.0 109.513 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.49 -3.49 58.27 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -61.77 -44.64 96.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -1.172 . . . . 0.0 109.06 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -103.79 -27.09 12.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.427 -0.796 . . . . 0.0 109.265 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.84 96.46 9.35 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.351 -0.843 . . . . 0.0 109.635 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -134.37 68.73 1.47 Allowed 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.4 t -172.69 -129.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 50.2 p-10 -172.74 142.66 1.19 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.247 -0.908 . . . . 0.0 109.507 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.54 15.76 67.77 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.09 155.75 36.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.294 -1.121 . . . . 0.0 109.696 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -115.01 124.57 51.99 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -106.06 129.52 54.15 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.083 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -110.28 121.36 45.09 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 74.9 t -94.95 131.55 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.44 -0.788 . . . . 0.0 108.977 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.6 t -125.12 116.35 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.627 -0.67 . . . . 0.0 109.232 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.532 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 41.4 p-10 -109.55 129.4 55.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.571 -0.706 . . . . 0.0 109.433 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.477 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.295 0.569 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.24 109.68 1.2 Allowed Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -85.54 -12.44 51.65 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.262 -1.14 . . . . 0.0 109.223 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -146.59 150.21 35.05 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.364 -0.835 . . . . 0.0 109.539 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -149.86 166.53 29.24 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.312 -0.867 . . . . 0.0 109.494 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -106.51 153.82 21.75 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.496 -0.752 . . . . 0.0 109.511 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -75.0 154.66 37.97 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.462 -0.774 . . . . 0.0 110.295 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -74.02 -8.92 57.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.551 -0.718 . . . . 0.0 109.182 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 t 61.83 29.84 18.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.51 -0.744 . . . . 0.0 109.373 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.96 -41.93 97.29 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.366 -0.834 . . . . 0.0 109.149 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.14 -108.18 2.09 Favored Glycine 0 N--CA 1.498 2.799 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -66.43 133.09 49.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.443 -1.033 . . . . 0.0 110.572 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 p -151.94 37.73 0.57 Allowed 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 50.7 p-10 -86.54 84.88 7.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.35 -0.844 . . . . 0.0 109.626 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -136.55 151.09 49.02 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.4 pt -125.97 149.63 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -99.84 118.77 37.0 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.427 -0.795 . . . . 0.0 109.374 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.4 m -139.2 164.13 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.557 -0.714 . . . . 0.0 109.455 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -101.07 139.76 36.31 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.5 t -123.0 131.38 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.3 t -134.99 148.5 49.99 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -111.99 147.05 36.76 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.533 0.683 . . . . 0.0 109.877 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.8 t -79.87 -74.91 0.28 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.515 -0.74 . . . . 0.0 110.301 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -77.96 53.62 1.19 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.352 -0.842 . . . . 0.0 110.644 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 61.7 t-20 -172.16 140.22 1.15 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.197 -0.939 . . . . 0.0 109.51 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.513 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 35.5 p-10 -85.8 1.1 51.03 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.338 -0.851 . . . . 0.0 109.583 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.78 122.18 25.72 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.329 -0.857 . . . . 0.0 109.503 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.424 HG11 ' CZ ' ' A' ' 30' ' ' PHE . 95.5 t -131.65 133.88 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.559 -0.713 . . . . 0.0 109.22 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.52 126.42 52.9 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CZ ' HG11 ' A' ' 28' ' ' VAL . 60.6 m-85 -110.77 146.22 36.73 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.542 -0.724 . . . . 0.0 110.269 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 53.82 57.76 5.73 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.716 -0.615 . . . . 0.0 109.895 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 32' ' ' VAL . 9.8 p -102.06 123.25 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.31 -0.869 . . . . 0.0 108.897 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -94.14 136.74 34.1 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.246 -0.909 . . . . 0.0 109.546 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.7 mt -134.67 141.41 46.55 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.443 -0.786 . . . . 0.0 109.373 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.458 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -68.77 141.7 55.13 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.496 -0.752 . . . . 0.0 109.512 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -75.53 -16.26 60.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.422 -0.799 . . . . 0.0 109.854 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -80.81 -0.79 40.35 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.474 -0.766 . . . . 0.0 109.567 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 90.4 mt -76.75 142.29 40.47 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.213 -0.929 . . . . 0.0 109.841 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.1 p -87.48 167.47 13.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.543 -0.723 . . . . 0.0 109.809 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.569 ' CG1' ' NZ ' ' A' ' 44' ' ' LYS . 53.5 t -63.78 -44.44 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.525 -0.734 . . . . 0.0 109.297 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.82 -40.21 87.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -0.923 . . . . 0.0 108.849 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.415 ' O ' ' OG1' ' A' ' 45' ' ' THR . 95.9 mm-40 -65.15 -39.46 93.01 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.213 -0.93 . . . . 0.0 108.768 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 tp -63.28 -43.38 98.09 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.156 -0.965 . . . . 0.0 109.223 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.569 ' NZ ' ' CG1' ' A' ' 40' ' ' VAL . 59.0 mttp -62.52 -40.72 97.66 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.289 -0.882 . . . . 0.0 109.717 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 42' ' ' GLN . 19.2 p -63.24 -44.58 94.81 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.12 -0.987 . . . . 0.0 109.444 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.84 -46.09 86.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.227 -0.921 . . . . 0.0 109.371 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.2 mt -67.0 -38.27 85.68 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 0.0 109.524 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 52' ' ' GLY . 83.3 tt0 -52.27 -47.9 65.57 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.895 . . . . 0.0 109.099 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.63 -43.63 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.0 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.1 -41.76 99.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.532 -0.73 . . . . 0.0 110.242 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.2 p -92.76 -16.95 24.79 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.949 -1.094 . . . . 0.0 109.764 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.66 5.12 36.05 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.04 -170.42 35.95 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 37.3 m -100.31 119.36 38.29 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.491 -1.005 . . . . 0.0 109.535 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.64 67.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.378 -0.826 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -76.59 -13.67 83.24 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.8 p -123.51 -3.83 8.31 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.441 -1.035 . . . . 0.0 109.103 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.8 ttp -89.57 128.28 36.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.395 -0.816 . . . . 0.0 109.905 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -114.57 148.64 37.73 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.6 t -118.35 132.01 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -130.83 145.5 52.0 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.4 t -93.79 131.0 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.537 -0.727 . . . . 0.0 109.448 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -126.59 137.66 53.36 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.573 0.701 . . . . 0.0 109.896 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -138.36 80.76 1.81 Allowed 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.99 -130.72 10.42 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 34.8 p-10 -98.69 6.87 46.69 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.364 -1.08 . . . . 0.0 110.038 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.9 m -126.31 132.77 51.56 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.487 -0.758 . . . . 0.0 109.84 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 p -80.43 130.69 35.32 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.396 -0.815 . . . . 0.0 109.686 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.1 t -72.57 -53.15 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.154 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.2 t -174.28 166.75 4.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.394 -0.816 . . . . 0.0 109.596 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.3 m -115.99 128.44 55.74 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.2 90.01 0.09 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.848 . . . . 0.0 109.997 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 40.1 p-10 -95.79 -29.77 14.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.442 -0.787 . . . . 0.0 109.816 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.518 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 13.7 t-20 -89.67 108.45 19.68 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.259 -0.9 . . . . 0.0 109.831 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.488 ' C ' ' H ' ' A' ' 77' ' ' ALA . 99.0 m-20 -63.86 -38.57 91.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.471 -0.768 . . . . 0.0 109.797 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.22 18.28 0.05 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.412 -0.805 . . . . 0.0 110.131 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 75' ' ' ASN . . . -99.49 149.65 23.0 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.271 -0.893 . . . . 0.0 109.847 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -86.44 159.52 19.31 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.441 -0.787 . . . . 0.0 110.325 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.4 tp -62.82 -42.56 99.77 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.512 -0.742 . . . . 0.0 109.901 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.59 -6.47 62.63 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -63.01 -45.68 91.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.325 -1.103 . . . . 0.0 109.221 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -104.69 -27.62 11.7 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.519 -0.738 . . . . 0.0 109.514 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.21 63.94 0.91 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.388 -0.82 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -90.7 7.32 40.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.383 -0.823 . . . . 0.0 109.344 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.7 t -137.74 145.04 41.99 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.478 -0.764 . . . . 0.0 109.446 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 49.7 p30 -84.42 170.88 13.1 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.504 -0.748 . . . . 0.0 110.299 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.96 3.49 90.45 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.5 mt -78.22 155.69 30.19 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.382 -1.069 . . . . 0.0 109.765 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -119.07 126.24 51.21 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -106.56 131.21 53.99 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -114.25 123.97 50.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.674 -0.641 . . . . 0.0 109.329 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.7 t -92.2 126.48 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 87.5 t -107.96 110.69 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.66 -0.65 . . . . 0.0 109.371 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -98.37 110.96 23.46 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.497 -0.752 . . . . 0.0 109.721 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.675 179.783 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.44 ' SD ' ' C ' ' A' ' 1' ' ' MET . 6.2 tmm? . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.23 -99.15 0.14 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' C ' ' H ' ' A' ' 5' ' ' HIS . 72.6 m80 -61.52 -41.08 96.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.403 -1.057 . . . . 0.0 110.164 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 57.94 2.71 0.19 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.373 -0.829 . . . . 0.0 109.595 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.476 ' H ' ' C ' ' A' ' 3' ' ' HIS . 97.0 m-70 -89.92 118.82 29.77 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.137 -0.977 . . . . 0.0 109.737 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' CE1' ' NE2' ' A' ' 7' ' ' HIS . 51.3 p-80 -82.97 -20.9 34.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.283 -0.886 . . . . 0.0 109.133 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.411 ' NE2' ' CE1' ' A' ' 6' ' ' HIS . 98.9 m-70 -57.48 -78.42 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.414 -0.804 . . . . 0.0 109.664 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -168.0 121.06 0.89 Allowed 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.314 -0.866 . . . . 0.0 109.708 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.0 p -159.23 5.61 0.1 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -81.12 127.26 32.44 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.526 -0.734 . . . . 0.0 109.437 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.36 144.69 21.7 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.951 -1.259 . . . . 0.0 109.951 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -69.01 133.25 47.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.294 -1.121 . . . . 0.0 109.69 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.0 t -76.14 144.45 40.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.463 -0.773 . . . . 0.0 110.11 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -134.73 31.82 3.32 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.504 -0.748 . . . . 0.0 109.095 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -110.89 145.38 38.38 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.518 -0.739 . . . . 0.0 109.237 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.3 pt -129.47 143.8 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.582 -0.699 . . . . 0.0 109.26 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -96.26 131.72 42.46 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.6 m -146.54 166.73 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.305 -0.872 . . . . 0.0 109.193 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -97.83 143.16 28.73 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.262 -0.898 . . . . 0.0 109.2 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.5 t -124.88 135.45 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.2 p -132.38 156.39 46.74 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.475 -0.765 . . . . 0.0 109.312 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.44 HD21 ' HB3' ' A' ' 27' ' ' ALA . 7.4 p30 -147.83 137.22 22.37 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.249 -0.907 . . . . 0.0 109.118 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' HIS . 89.0 p -75.94 163.13 27.49 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.453 -0.779 . . . . 0.0 111.013 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.515 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 28.4 m170 39.95 49.6 2.29 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 121.435 0.636 . . . . 0.0 110.314 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.519 ' C ' ' H ' ' A' ' 27' ' ' ALA . 11.5 m120 -151.93 -29.32 0.17 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.9 t0 60.24 -1.37 0.2 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.661 -0.649 . . . . 0.0 109.499 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.519 ' H ' ' C ' ' A' ' 25' ' ' ASN . . . -87.88 111.1 21.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 0.0 109.283 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.2 t -124.98 130.4 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.67 145.76 29.21 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.44 -0.787 . . . . 0.0 109.176 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' GLU . 76.5 m-85 -109.55 138.66 45.59 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.65 -0.656 . . . . 0.0 110.15 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' PHE . 78.5 mm-40 37.03 77.56 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.213 0.53 . . . . 0.0 111.196 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 32' ' ' VAL . 3.3 m -97.94 122.99 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 121.05 -1.031 . . . . 0.0 109.195 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 18.3 ptmt -81.88 123.55 28.92 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.052 -1.03 . . . . 0.0 109.825 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -140.41 144.59 36.25 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.213 -0.93 . . . . 0.0 109.391 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.478 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -70.02 131.68 44.73 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 121.793 0.806 . . . . 0.0 109.819 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -75.39 -12.41 60.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.633 -0.667 . . . . 0.0 109.835 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -82.56 0.28 43.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.117 -0.989 . . . . 0.0 109.607 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.478 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 88.9 mt -77.16 151.21 35.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.269 -0.894 . . . . 0.0 110.022 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.9 p -85.29 164.02 18.27 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.485 -0.759 . . . . 0.0 110.067 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.93 -43.63 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.639 -0.663 . . . . 0.0 109.39 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.67 -44.64 85.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.382 -0.824 . . . . 0.0 109.493 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.64 -43.13 94.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.066 -1.021 . . . . 0.0 109.463 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.503 HD22 HD13 ' A' ' 79' ' ' LEU . 47.4 tp -63.57 -41.33 98.4 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.383 -0.823 . . . . 0.0 109.786 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -59.85 -41.59 91.76 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.182 -0.949 . . . . 0.0 109.572 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.5 m -60.31 -45.38 93.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.362 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.98 -43.58 98.39 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.075 -1.015 . . . . 0.0 109.207 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.84 -39.47 94.3 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.276 -0.89 . . . . 0.0 109.082 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.6 tt0 -55.16 -41.6 72.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.358 -0.839 . . . . 0.0 108.911 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.9 -42.93 97.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.371 -0.831 . . . . 0.0 109.422 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.58 -42.08 98.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.414 -0.804 . . . . 0.0 109.951 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.417 HG22 HD22 ' A' ' 22' ' ' ASN . 44.2 p -91.26 -15.78 28.64 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.928 -1.107 . . . . 0.0 109.77 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.29 0.93 8.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.23 -165.68 34.82 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 m -98.97 132.77 44.04 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.472 -1.017 . . . . 0.0 109.86 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.35 83.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.541 -0.724 . . . . 0.0 110.321 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.06 -6.79 87.6 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 119.984 -1.103 . . . . 0.0 110.58 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.2 m -107.65 -30.99 8.27 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.175 -1.191 . . . . 0.0 110.068 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.17 144.91 26.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 0.0 109.968 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -110.57 153.27 25.37 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.18 132.37 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.575 -0.703 . . . . 0.0 109.124 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -135.59 149.76 49.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.47 -0.769 . . . . 0.0 109.107 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.8 t -106.35 130.42 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.491 -0.755 . . . . 0.0 109.055 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -128.93 149.75 50.66 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.636 0.732 . . . . 0.0 109.699 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -139.64 91.28 2.47 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.17 -130.18 13.46 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -96.13 11.98 32.36 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.437 -1.037 . . . . 0.0 110.371 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 81.7 m -118.53 133.4 55.9 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.39 -0.819 . . . . 0.0 110.03 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.2 m -82.17 119.54 24.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.43 -0.794 . . . . 0.0 109.892 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 70' ' ' SER . 77.3 t -71.19 -50.88 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.264 -0.898 . . . . 0.0 110.161 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.1 m 164.7 -179.28 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.342 -0.848 . . . . 0.0 109.258 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.5 m -120.62 130.35 54.12 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -66.17 93.72 0.22 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.218 -0.926 . . . . 0.0 110.153 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -90.71 -23.7 20.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.443 -0.786 . . . . 0.0 109.724 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -93.85 106.0 17.99 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.311 -0.868 . . . . 0.0 109.811 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 53.2 p-10 -72.64 -15.61 61.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.264 -0.898 . . . . 0.0 109.297 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 95.5 m-20 -90.65 -3.51 57.47 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.362 -0.836 . . . . 0.0 109.202 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.65 155.21 31.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.507 -0.746 . . . . 0.0 110.098 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -83.07 160.64 21.88 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.437 -0.79 . . . . 0.0 110.306 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.503 HD13 HD22 ' A' ' 43' ' ' LEU . 45.6 tp -62.55 -41.5 98.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.499 -0.75 . . . . 0.0 109.261 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.77 -3.14 54.16 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -62.04 -45.4 93.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.051 -1.264 . . . . 0.0 109.022 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -107.8 -29.23 9.2 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.467 -0.77 . . . . 0.0 109.724 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.5 -106.65 0.08 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.2 -0.937 . . . . 0.0 110.242 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 61.37 32.08 19.13 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.65 -0.656 . . . . 0.0 109.89 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.6 t -158.12 130.6 7.14 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.179 -0.951 . . . . 0.0 109.173 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -77.17 147.64 36.38 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.195 -0.94 . . . . 0.0 110.42 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.43 -5.47 51.98 Favored Glycine 0 N--CA 1.5 2.902 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.7 mt -76.48 158.35 31.36 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.188 -1.184 . . . . 0.0 109.812 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -125.83 130.02 50.56 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -103.73 131.82 50.55 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.501 -0.749 . . . . 0.0 109.061 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -117.44 124.34 48.57 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.655 -0.653 . . . . 0.0 109.543 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.9 t -106.42 129.27 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.49 113.99 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.472 -0.768 . . . . 0.0 109.28 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -98.88 114.17 26.64 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.312 -0.868 . . . . 0.0 109.833 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.593 179.567 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptp . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.403 0.62 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.75 151.7 52.2 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -86.64 43.99 1.12 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 122.153 -0.616 . . . . 0.0 109.498 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -150.79 145.98 26.09 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.544 0.688 . . . . 0.0 109.761 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -66.8 -43.08 84.82 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.548 ' HD1' ' C ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -153.92 165.76 35.09 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.643 0.735 . . . . 0.0 110.58 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -64.84 -44.59 89.3 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.009 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 9' ' ' SER . 86.1 t60 -168.78 149.88 4.62 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-O 121.671 0.748 . . . . 0.0 110.359 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 92.3 p -76.95 168.02 20.81 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.658 0.742 . . . . 0.0 110.472 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -148.25 147.59 29.53 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.711 0.767 . . . . 0.0 109.998 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.13 -162.31 28.14 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -84.39 147.92 26.88 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.489 0.661 . . . . 0.0 110.163 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 90.1 p -150.06 116.72 5.84 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.681 0.753 . . . . 0.0 109.977 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -93.13 12.04 25.66 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -104.12 145.42 30.21 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 121.825 0.822 . . . . 0.0 109.574 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.0 pt -135.94 161.58 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 CA-C-O 121.758 0.79 . . . . 0.0 110.087 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -108.11 128.19 54.47 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.691 0.758 . . . . 0.0 109.584 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -140.48 166.42 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 CA-C-O 121.825 0.821 . . . . 0.0 110.35 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -102.13 141.56 34.77 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.706 0.765 . . . . 0.0 109.772 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.8 t -125.16 132.87 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 CA-C-O 121.764 0.792 . . . . 0.0 109.336 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.7 m -128.99 154.16 46.87 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.62 0.724 . . . . 0.0 109.871 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 23' ' ' SER . 54.8 t-20 -134.8 142.47 46.69 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.731 0.777 . . . . 0.0 109.742 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.518 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 68.2 m -78.51 -6.41 55.37 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.53 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 74.4 m80 -126.01 153.54 44.23 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.795 0.807 . . . . 0.0 110.533 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 56.55 3.9 0.13 Allowed 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.515 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 24' ' ' HIS . 93.2 m-20 45.77 29.01 0.63 Allowed 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.11 119.67 16.62 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.53 0.681 . . . . 0.0 110.008 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 65.6 t -127.44 132.18 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-O 121.476 0.655 . . . . 0.0 109.58 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.21 136.34 53.06 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.547 0.689 . . . . 0.0 109.528 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -114.13 140.74 48.26 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.836 0.827 . . . . 0.0 110.579 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 55.57 47.75 20.17 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.275 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 32' ' ' VAL . 4.7 p -77.51 126.9 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 CA-C-O 121.651 0.739 . . . . 0.0 110.275 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -89.58 115.9 27.33 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.689 0.757 . . . . 0.0 110.195 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.5 mt -135.72 133.64 38.26 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 121.581 0.705 . . . . 0.0 109.521 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.5 140.02 49.79 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.605 0.717 . . . . 0.0 110.213 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -70.66 -16.95 62.86 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.139 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -80.66 -2.87 48.46 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.691 -0.631 . . . . 0.0 110.057 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.0 mt -75.99 139.89 41.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.539 -0.726 . . . . 0.0 109.845 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.7 p -84.58 166.24 17.33 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 121.591 0.71 . . . . 0.0 109.882 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.87 -43.79 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.12 95.59 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -65.72 -37.71 87.16 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.508 HD22 HD13 ' A' ' 79' ' ' LEU . 55.7 tp -63.0 -40.92 99.23 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.15 -39.87 94.08 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 83.9 m -61.62 -45.57 93.53 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -64.24 -43.39 95.07 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.38 -39.8 92.71 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.1 tt0 -51.18 -47.68 62.12 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.87 -43.64 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-O 121.193 0.52 . . . . 0.0 109.6 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.15 -43.26 95.73 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.979 -0.45 . . . . 0.0 110.485 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.2 p -94.64 -15.86 23.64 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.877 -0.514 . . . . 0.0 109.712 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 64.08 17.7 61.53 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.72 -162.65 36.57 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.417 ' SG ' ' OG1' ' A' ' 57' ' ' THR . 0.8 OUTLIER -105.8 116.48 32.02 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.524 0.678 . . . . 0.0 109.192 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.64 -26.63 68.12 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.058 0.456 . . . . 0.0 109.891 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.91 -39.25 97.81 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.417 ' OG1' ' SG ' ' A' ' 54' ' ' CYS . 53.5 p -105.97 6.27 31.16 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.619 -0.93 . . . . 0.0 109.523 -178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.6 ttm -74.9 131.06 40.43 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.725 0.774 . . . . 0.0 110.229 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -123.83 140.88 52.55 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 121.673 0.749 . . . . 0.0 109.706 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.98 129.51 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-O 121.637 0.732 . . . . 0.0 109.685 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -130.77 129.17 42.12 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.749 0.785 . . . . 0.0 109.842 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.19 130.11 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 CA-C-O 121.592 0.71 . . . . 0.0 109.9 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.48 ' HE1' ' HG ' ' A' ' 68' ' ' CYS . 30.8 m-85 -127.25 144.69 50.99 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.972 0.891 . . . . 0.0 110.098 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -149.0 92.17 1.94 Allowed 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.42 -128.77 8.63 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -102.4 10.12 39.26 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.1 m -129.35 135.7 49.07 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.868 0.842 . . . . 0.0 110.469 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.48 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 3.2 m -82.07 130.29 35.04 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.44 0.638 . . . . 0.0 109.996 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -73.53 -55.07 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.2 t -175.85 165.9 3.04 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 121.668 0.747 . . . . 0.0 110.451 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.2 m -114.5 128.63 56.43 Favored 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.73 0.776 . . . . 0.0 109.474 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.0 mtt -68.85 92.22 0.49 Allowed 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.377 0.608 . . . . 0.0 110.426 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.1 t0 -95.04 -24.65 16.8 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 61.3 t-20 -91.04 109.97 21.22 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.598 0.713 . . . . 0.0 110.301 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -72.26 -18.39 61.82 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 89.8 m-20 -92.07 7.44 42.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.767 -0.583 . . . . 0.0 109.442 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.38 153.07 20.7 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.665 0.745 . . . . 0.0 109.783 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -79.8 156.85 27.23 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.622 0.725 . . . . 0.0 110.177 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.508 HD13 HD22 ' A' ' 43' ' ' LEU . 40.0 tp -63.73 -41.79 97.99 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.5 -4.52 52.34 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.99 -45.09 94.08 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.971 -0.723 . . . . 0.0 109.142 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -104.94 -26.53 12.14 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.77 67.65 0.9 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.564 -0.71 . . . . 0.0 109.586 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -100.71 53.47 0.86 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 t -161.46 -131.77 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.454 0.645 . . . . 0.0 110.625 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 49.7 p-10 -169.01 139.47 2.32 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.753 0.787 . . . . 0.0 110.533 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.76 3.09 61.01 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.8 mt -72.14 153.71 41.49 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.907 -0.761 . . . . 0.0 110.069 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -116.16 129.25 56.23 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.724 0.773 . . . . 0.0 109.755 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.65 130.88 54.87 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.679 0.752 . . . . 0.0 109.738 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.518 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 83.8 t60 -104.53 118.48 36.7 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.73 0.776 . . . . 0.0 109.826 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.6 t -97.21 128.25 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 CA-C-O 121.502 0.668 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.8 t -115.55 125.0 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-O 121.865 0.84 . . . . 0.0 109.762 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.53 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 27.0 p-10 -128.89 107.04 9.31 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.445 0.64 . . . . 0.0 109.6 179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 117.863 -1.065 . . . . 0.0 110.03 179.577 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.625 0.726 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.95 88.35 1.58 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -87.61 -15.02 38.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.553 -0.969 . . . . 0.0 109.104 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -71.88 127.93 34.13 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.252 -0.905 . . . . 0.0 110.406 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.483 ' O ' ' ND1' ' A' ' 7' ' ' HIS . 3.1 p-80 -89.96 10.78 22.63 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.417 -0.802 . . . . 0.0 109.289 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.541 ' O ' ' N ' ' A' ' 8' ' ' HIS . 85.4 t60 54.82 -91.22 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.704 -0.623 . . . . 0.0 110.413 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' A' ' 5' ' ' HIS . 63.1 m80 41.84 -90.18 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.555 0.693 . . . . 0.0 110.663 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.541 ' N ' ' O ' ' A' ' 6' ' ' HIS . 30.7 t-80 -79.33 124.41 28.39 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.944 0.878 . . . . 0.0 110.143 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.463 ' O ' ' CE1' ' A' ' 8' ' ' HIS . 37.9 t -73.52 144.12 46.27 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.635 0.731 . . . . 0.0 110.26 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -155.26 126.52 7.22 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.353 -0.842 . . . . 0.0 110.05 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 75.14 16.6 80.5 Favored Glycine 0 N--CA 1.496 2.674 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -69.74 134.93 49.16 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.39 -1.065 . . . . 0.0 110.48 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t 72.13 81.76 0.14 Allowed 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.801 0.81 . . . . 0.0 109.613 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -95.66 62.83 2.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.295 -0.878 . . . . 0.0 109.121 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -128.83 146.2 50.99 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.632 -0.667 . . . . 0.0 109.641 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.0 pt -132.39 159.2 43.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.712 -0.617 . . . . 0.0 109.547 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -105.44 127.14 52.83 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.773 0.797 . . . . 0.0 110.196 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -135.93 162.49 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-O 121.44 0.638 . . . . 0.0 109.303 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -98.97 139.9 33.93 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.0 t -125.95 133.51 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 CA-C-O 121.725 0.774 . . . . 0.0 109.638 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.0 p -146.9 162.54 38.48 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.533 ' ND2' ' H ' ' A' ' 24' ' ' HIS . 14.4 t30 -130.8 154.16 48.31 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.933 0.873 . . . . 0.0 110.049 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -67.55 -15.11 63.49 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.304 0.573 . . . . 0.0 109.472 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.533 ' H ' ' ND2' ' A' ' 22' ' ' ASN . 79.6 m80 -131.04 167.06 19.71 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.275 -0.891 . . . . 0.0 109.996 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 58.64 151.25 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.807 0.813 . . . . 0.0 110.561 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -88.09 6.68 35.17 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.01 106.53 0.72 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.3 -0.875 . . . . 0.0 109.694 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -131.32 133.68 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.511 -0.743 . . . . 0.0 109.383 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.76 135.73 50.21 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' GLU . 99.0 m-85 -109.0 143.89 37.7 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.655 0.74 . . . . 0.0 110.369 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' PHE . 97.5 mt-10 35.02 66.72 0.29 Allowed 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 121.519 0.676 . . . . 0.0 111.005 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 p -90.54 128.4 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.225 -0.922 . . . . 0.0 109.13 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -81.58 120.21 24.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 110.09 -178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -132.99 135.46 45.49 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-O 121.52 0.676 . . . . 0.0 109.543 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.449 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -67.58 139.77 56.91 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.982 0.896 . . . . 0.0 109.957 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -75.49 -11.95 60.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.649 -0.657 . . . . 0.0 109.602 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -85.22 -0.52 54.9 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.111 -0.993 . . . . 0.0 109.565 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 93.1 mt -74.62 142.23 44.61 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.02 -1.05 . . . . 0.0 109.749 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.529 ' OG1' ' NE2' ' A' ' 42' ' ' GLN . 10.1 p -82.68 164.62 20.59 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 121.828 0.823 . . . . 0.0 110.102 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.51 -43.21 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.608 -0.683 . . . . 0.0 110.009 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.37 92.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.144 -0.972 . . . . 0.0 109.656 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.618 ' NE2' ' N ' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -66.25 -35.61 80.86 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.355 -0.841 . . . . 0.0 109.029 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.409 HD22 HD13 ' A' ' 79' ' ' LEU . 57.9 tp -64.03 -39.27 93.71 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.454 -0.779 . . . . 0.0 109.251 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.61 -41.91 99.27 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.483 -0.76 . . . . 0.0 109.75 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 73.5 p -60.48 -44.23 96.14 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.225 -0.922 . . . . 0.0 109.835 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.423 ' NZ ' HD13 ' A' ' 38' ' ' LEU . 98.8 mttt -64.06 -44.3 92.88 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.156 -0.965 . . . . 0.0 109.476 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.59 -38.29 86.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.34 -0.85 . . . . 0.0 109.177 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.2 tt0 -52.61 -43.55 65.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.39 -0.819 . . . . 0.0 109.083 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.94 -44.01 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.21 -0.931 . . . . 0.0 109.242 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.97 -42.28 97.31 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.456 -0.778 . . . . 0.0 110.702 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.2 p -94.35 -16.4 23.52 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.928 -1.107 . . . . 0.0 109.427 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.94 22.68 74.12 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.7 -142.01 10.38 Favored Glycine 0 N--CA 1.494 2.56 0 O-C-N 121.247 -1.149 . . . . 0.0 110.414 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 m -135.41 114.32 12.05 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.492 -1.004 . . . . 0.0 109.056 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.95 -24.56 2.63 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.569 0.699 . . . . 0.0 110.006 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.35 6.45 72.36 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 64.3 p -133.85 -49.38 0.82 Allowed 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.258 -1.143 . . . . 0.0 110.236 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.5 ptp -53.03 144.07 15.99 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.981 0.896 . . . . 0.0 111.044 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -109.5 149.24 29.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.646 -0.659 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.499 HG11 ' SD ' ' A' ' 72' ' ' MET . 54.0 t -116.9 128.45 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 CA-C-O 121.532 0.682 . . . . 0.0 109.44 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.78 145.26 42.17 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.477 -0.764 . . . . 0.0 109.455 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.48 132.16 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.512 -0.743 . . . . 0.0 109.566 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -125.63 147.35 49.35 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.874 0.845 . . . . 0.0 110.177 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -143.07 80.96 1.7 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.82 -127.73 8.79 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -97.41 4.36 50.64 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.427 -1.043 . . . . 0.0 109.363 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.4 m -124.08 131.13 53.52 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.327 -0.858 . . . . 0.0 110.438 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.449 ' O ' ' SG ' ' A' ' 68' ' ' CYS . 28.0 p -78.13 122.92 26.26 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.535 0.683 . . . . 0.0 109.682 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 70' ' ' SER . 94.0 t -65.43 -46.73 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.2 m 167.52 174.4 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.142 -0.973 . . . . 0.0 110.293 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' ASP . 52.6 m -115.11 130.7 56.99 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 121.667 0.746 . . . . 0.0 109.69 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.499 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.5 mtt -62.29 73.72 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.745 0.784 . . . . 0.0 110.014 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 71' ' ' THR . 54.9 m-20 -66.57 -35.52 80.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.488 -0.758 . . . . 0.0 109.34 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -86.88 107.02 18.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.114 -0.991 . . . . 0.0 110.257 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 52.6 p30 -74.86 -16.7 60.67 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.651 0.739 . . . . 0.0 109.453 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 31.9 p-10 -93.32 0.74 57.05 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.175 -0.953 . . . . 0.0 109.468 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.49 162.66 23.16 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.171 -0.956 . . . . 0.0 110.229 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -83.27 158.38 22.27 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.861 0.838 . . . . 0.0 110.613 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.409 HD13 HD22 ' A' ' 43' ' ' LEU . 42.8 tp -63.54 -40.98 98.43 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.691 0.757 . . . . 0.0 109.976 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.33 -5.07 62.01 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -63.18 -44.12 96.3 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.301 -1.117 . . . . 0.0 109.361 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.96 -27.43 11.69 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.388 -0.82 . . . . 0.0 109.15 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.22 75.65 1.27 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.361 -0.837 . . . . 0.0 109.187 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -95.24 8.05 44.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.392 -0.817 . . . . 0.0 108.885 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.2 m -149.36 152.29 35.55 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.176 -0.953 . . . . 0.0 110.228 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -84.57 171.41 12.5 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.886 0.851 . . . . 0.0 111.281 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.92 -1.94 85.38 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.6 mt -77.06 154.01 33.79 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.361 -1.082 . . . . 0.0 109.934 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -119.82 131.79 55.4 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.851 0.834 . . . . 0.0 109.426 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.8 mt -103.7 132.74 49.68 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -114.66 129.8 56.72 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.487 0.66 . . . . 0.0 109.479 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.09 131.74 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.574 0.702 . . . . 0.0 109.309 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.95 119.3 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 94' ' ' ASP . 42.8 p-10 -127.43 108.14 10.57 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.733 0.778 . . . . 0.0 109.613 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 93.0 p . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 117.89 -1.052 . . . . 0.0 108.836 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtm . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.272 0.558 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.04 -172.22 55.18 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.48 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 10.0 p80 -72.74 147.36 45.68 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.687 -0.89 . . . . 0.0 110.174 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -73.79 154.32 39.59 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.603 -0.686 . . . . 0.0 110.408 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -72.31 137.06 46.42 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.49 -0.756 . . . . 0.0 109.868 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -101.87 122.91 44.9 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.511 -0.743 . . . . 0.0 109.561 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 7' ' ' HIS . 45.9 p-80 -113.63 107.05 15.26 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.545 -0.722 . . . . 0.0 109.58 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -66.52 -41.37 88.88 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.525 -0.734 . . . . 0.0 109.72 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 p -156.44 -58.43 0.09 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.344 -0.847 . . . . 0.0 109.379 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.8 m80 42.18 -109.85 0.13 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.613 -0.68 . . . . 0.0 110.504 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.95 121.44 5.8 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' SER . 21.1 ptmt -81.6 135.09 35.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.397 -1.06 . . . . 0.0 110.053 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 13' ' ' SER . 24.5 p 38.72 89.4 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.947 0 CA-C-O 121.495 0.664 . . . . 0.0 110.599 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 13' ' ' SER . 94.5 m-20 -141.05 28.47 1.9 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 15' ' ' PHE . 3.4 m-85 -128.01 153.09 47.15 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 pt -121.56 153.15 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.602 -0.686 . . . . 0.0 109.44 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -105.5 114.97 29.47 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.36 164.43 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.46 -0.775 . . . . 0.0 109.411 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -99.93 144.8 28.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.583 -0.698 . . . . 0.0 109.61 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.4 t -122.13 133.79 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 p -139.39 165.47 27.13 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.553 HD22 HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -143.82 131.73 21.55 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.193 -0.942 . . . . 0.0 109.631 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.532 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 60.2 m -63.23 -43.41 98.15 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.66 -0.65 . . . . 0.0 109.963 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.454 ' CE1' ' O ' ' A' ' 94' ' ' ASP . 58.3 m80 -79.5 -79.42 0.14 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.589 -0.694 . . . . 0.0 110.411 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 58.7 t-20 -62.93 146.65 52.51 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.522 -0.736 . . . . 0.0 109.843 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.54 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 94.6 m-20 -89.24 0.86 56.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.611 -0.681 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.427 ' HB3' HD21 ' A' ' 22' ' ' ASN . . . -60.63 120.43 10.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.465 -0.772 . . . . 0.0 109.447 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.4 t -128.09 133.54 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.43 136.02 53.24 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' GLU . 93.7 m-85 -110.26 146.66 35.26 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.398 -0.814 . . . . 0.0 110.595 -178.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' PHE . 97.3 mt-10 40.58 59.1 2.21 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.353 0.596 . . . . 0.0 110.304 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 32' ' ' VAL . 9.9 p -89.8 121.58 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.428 -0.795 . . . . 0.0 109.06 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -75.39 133.18 41.23 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.443 -0.786 . . . . 0.0 110.137 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.4 mt -137.33 130.93 31.46 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.418 -0.801 . . . . 0.0 109.277 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.5 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -69.22 141.57 54.44 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.449 -0.782 . . . . 0.0 109.548 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -70.65 -15.03 62.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.606 -0.684 . . . . 0.0 110.149 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -85.89 0.87 52.0 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.436 -0.79 . . . . 0.0 109.717 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.5 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 98.6 mt -74.21 139.67 44.55 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 109.984 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 80.5 p -88.75 165.71 14.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.595 -0.69 . . . . 0.0 109.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.54 -43.98 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.578 -0.701 . . . . 0.0 109.271 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.13 92.79 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.529 -0.732 . . . . 0.0 109.54 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -65.4 -36.09 82.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.354 -0.841 . . . . 0.0 109.198 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.6 tp -62.22 -42.12 99.02 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.503 -0.748 . . . . 0.0 109.128 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.14 -42.41 99.22 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.333 -0.854 . . . . 0.0 109.811 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.9 p -61.01 -42.87 99.28 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.271 -0.893 . . . . 0.0 109.348 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -63.42 -42.93 98.73 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.91 -39.28 93.81 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.574 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.1 tt0 -54.25 -44.6 71.91 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.3 -43.71 95.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 121.251 -0.906 . . . . 0.0 109.088 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -63.33 -45.2 92.37 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.676 -0.64 . . . . 0.0 109.908 -178.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 HD22 ' A' ' 22' ' ' ASN . 34.8 p -92.02 -12.84 32.1 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.121 -0.987 . . . . 0.0 109.367 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 63.91 18.1 61.68 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.48 -137.21 6.32 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.907 -1.277 . . . . 0.0 109.907 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.477 ' SG ' ' CG2' ' A' ' 57' ' ' THR . 0.5 OUTLIER -136.56 125.13 23.65 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.51 -0.994 . . . . 0.0 109.448 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.31 -13.44 61.12 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.582 -0.699 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.39 -4.83 75.58 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.477 ' CG2' ' SG ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -143.1 9.56 1.69 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.331 -1.099 . . . . 0.0 108.848 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 56.9 ttm -82.64 144.0 30.59 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.597 -0.69 . . . . 0.0 110.196 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -124.14 140.54 52.87 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.4 t -113.17 129.96 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -130.76 128.19 40.28 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.8 t -87.44 133.72 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.392 -0.817 . . . . 0.0 109.156 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -127.55 145.29 50.91 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.837 0.827 . . . . 0.0 110.219 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -143.96 92.77 2.37 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.81 -133.74 13.48 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -96.54 7.67 45.98 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.379 -1.071 . . . . 0.0 109.831 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.0 m -124.41 133.17 53.48 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.493 -0.754 . . . . 0.0 109.774 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.8 t -80.19 126.6 31.31 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.518 -0.739 . . . . 0.0 109.772 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.444 ' O ' ' CB ' ' A' ' 70' ' ' SER . 94.2 t -65.64 -45.34 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.467 -0.771 . . . . 0.0 109.751 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 168.44 176.5 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.322 -0.861 . . . . 0.0 109.398 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 54.7 m -116.81 129.66 56.23 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -66.21 92.29 0.18 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.354 -0.841 . . . . 0.0 110.129 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 40.4 p-10 -93.01 -21.15 19.93 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.291 -0.88 . . . . 0.0 109.501 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 85.5 m-20 -89.81 109.58 20.56 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.366 -0.834 . . . . 0.0 109.694 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -74.54 -16.63 60.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.477 -0.764 . . . . 0.0 109.622 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 34.9 p-10 -95.78 0.55 52.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.258 -0.901 . . . . 0.0 109.492 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.34 152.14 36.45 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.395 -0.816 . . . . 0.0 109.879 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -84.43 158.92 20.91 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.488 -0.758 . . . . 0.0 109.969 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.16 -42.08 99.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.575 -0.703 . . . . 0.0 109.835 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.79 -9.4 65.73 Favored Glycine 0 N--CA 1.492 2.372 0 C-N-CA 119.517 -1.325 . . . . 0.0 109.932 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.27 -45.49 91.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.216 -1.167 . . . . 0.0 109.416 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -104.39 -30.52 10.04 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.402 -0.811 . . . . 0.0 109.543 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.25 68.0 0.87 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.468 -0.77 . . . . 0.0 109.272 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -92.21 2.88 56.34 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.371 -0.83 . . . . 0.0 109.447 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.3 m -135.6 149.78 49.48 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.343 -0.848 . . . . 0.0 109.856 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -85.27 170.74 12.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.376 -0.828 . . . . 0.0 110.475 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.03 -2.91 87.19 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.5 mt -76.92 153.25 34.85 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.296 -1.12 . . . . 0.0 109.739 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -118.52 129.66 55.49 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.623 -0.673 . . . . 0.0 109.351 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -105.14 131.01 53.17 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.532 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 73.2 t60 -111.14 119.43 38.94 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.607 -0.683 . . . . 0.0 109.369 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -94.91 128.97 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.615 -0.678 . . . . 0.0 109.362 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.1 t -117.35 123.12 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.454 ' O ' ' CE1' ' A' ' 24' ' ' HIS . 68.1 t0 -100.83 109.23 21.19 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.485 -0.759 . . . . 0.0 109.869 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.12 179.508 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mmm . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.8 9.03 86.02 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -80.84 145.17 31.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.369 -1.077 . . . . 0.0 109.637 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -149.31 165.41 32.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.895 . . . . 0.0 109.694 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -72.26 142.28 48.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.522 -0.736 . . . . 0.0 110.209 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -151.7 165.62 33.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.423 -0.798 . . . . 0.0 109.319 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -130.49 130.28 44.0 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.531 -0.731 . . . . 0.0 109.205 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -74.4 142.36 45.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.439 -0.788 . . . . 0.0 110.089 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 11' ' ' GLY . 68.1 p -88.33 76.53 8.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.381 -0.824 . . . . 0.0 109.427 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 78.6 m80 52.45 7.93 0.07 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.321 -0.862 . . . . 0.0 109.834 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 9' ' ' SER . . . 53.97 77.09 0.16 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -91.97 -6.24 51.62 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.398 -1.06 . . . . 0.0 108.814 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.5 m -66.86 146.11 54.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.42 -0.8 . . . . 0.0 109.426 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' O ' ' HA ' ' A' ' 35' ' ' ALA . 97.6 m-20 -132.52 44.31 2.89 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.427 -0.795 . . . . 0.0 110.066 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 14' ' ' ASP . 84.8 m-85 -138.6 130.7 28.33 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-N 122.224 2.284 . . . . 0.0 113.13 -177.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.5 pt -135.02 154.81 37.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 CA-C-N 113.727 -1.579 . . . . 0.0 107.426 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -111.28 134.55 52.78 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.9 m -138.26 166.58 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.395 -0.816 . . . . 0.0 109.196 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -100.71 144.14 30.04 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.533 -0.729 . . . . 0.0 109.463 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -125.46 133.66 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 t -135.87 163.45 30.21 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.446 -0.784 . . . . 0.0 109.13 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' SER . 58.3 t-20 -134.95 143.87 47.11 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.446 -0.784 . . . . 0.0 109.69 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.522 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 67.3 m -74.65 -69.5 0.46 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.458 -0.776 . . . . 0.0 110.291 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 94' ' ' ASP . 71.3 m80 -58.32 -44.16 88.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.413 -0.804 . . . . 0.0 110.179 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -92.14 146.43 23.72 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.242 -0.911 . . . . 0.0 110.208 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 60.9 t0 -93.45 4.7 53.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.529 -0.732 . . . . 0.0 109.211 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.18 129.26 39.22 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.088 -1.008 . . . . 0.0 109.699 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -131.95 133.25 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.43 -0.794 . . . . 0.0 109.261 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.27 138.19 44.97 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.444 -0.785 . . . . 0.0 109.177 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -115.37 139.33 50.1 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.521 -0.737 . . . . 0.0 110.236 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 56.01 55.1 7.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.689 -0.632 . . . . 0.0 110.891 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 32' ' ' VAL . 2.5 m -79.01 125.27 38.3 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 O-C-N 121.132 -0.98 . . . . 0.0 109.106 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -93.56 113.07 25.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.977 -1.077 . . . . 0.0 109.472 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.2 mt -133.32 135.06 44.58 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.448 -0.782 . . . . 0.0 109.246 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 14' ' ' ASP . . . -68.87 142.95 54.66 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.376 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -72.95 -11.85 60.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.557 -0.715 . . . . 0.0 109.501 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -84.25 1.16 46.04 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.168 -0.957 . . . . 0.0 109.656 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.4 mt -77.48 143.74 38.27 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.25 -0.906 . . . . 0.0 110.155 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.7 p -86.32 165.38 16.46 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.447 -0.783 . . . . 0.0 110.006 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.89 -44.12 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.619 -0.675 . . . . 0.0 109.879 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.44 88.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.235 -0.916 . . . . 0.0 109.295 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.04 -37.9 84.91 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.323 -0.86 . . . . 0.0 109.061 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.414 HD22 HD13 ' A' ' 79' ' ' LEU . 56.5 tp -62.32 -43.46 98.77 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.402 -0.811 . . . . 0.0 109.18 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.05 -38.99 90.85 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.346 -0.846 . . . . 0.0 109.039 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.8 m -61.17 -46.39 90.7 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.275 -0.891 . . . . 0.0 109.17 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -63.71 -44.41 93.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.333 -0.854 . . . . 0.0 109.188 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.6 -38.68 90.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.549 -0.719 . . . . 0.0 109.283 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.549 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.8 tt0 -55.31 -48.05 74.71 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.541 -0.725 . . . . 0.0 109.221 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.9 -43.34 96.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 O-C-N 121.353 -0.842 . . . . 0.0 109.119 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.28 -41.97 99.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.56 -0.712 . . . . 0.0 110.312 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.1 p -93.09 -15.65 25.83 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.097 -1.002 . . . . 0.0 109.588 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.5 2.04 18.9 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.0 -171.91 32.49 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.379 -1.089 . . . . 0.0 110.379 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 t -97.43 120.8 38.46 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.506 -0.996 . . . . 0.0 109.293 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.32 -30.68 70.65 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.435 -0.791 . . . . 0.0 110.181 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.69 90.59 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 110.384 -1.086 . . . . 0.0 110.384 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.5 p -104.57 -5.02 21.87 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.261 -1.14 . . . . 0.0 109.997 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.0 ttp -87.24 125.71 34.37 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.065 -1.022 . . . . 0.0 109.992 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -113.71 150.57 33.1 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.5 t -113.29 132.85 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.536 -0.728 . . . . 0.0 109.385 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -129.5 137.81 51.01 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.64 -0.662 . . . . 0.0 109.292 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.5 t -90.32 130.86 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.463 -0.773 . . . . 0.0 108.999 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -128.63 146.56 50.83 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.881 0.848 . . . . 0.0 110.102 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -146.3 102.82 3.64 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.66 -0.866 . . . . 0.0 108.66 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.2 -129.6 20.67 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -102.25 12.0 37.34 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.538 -0.978 . . . . 0.0 109.755 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -127.64 132.67 49.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.441 -0.787 . . . . 0.0 110.187 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.0 p -78.73 135.26 37.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.527 -0.733 . . . . 0.0 109.626 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -81.46 -58.71 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.37 -0.831 . . . . 0.0 109.525 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 95.9 p -173.27 164.07 4.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.527 -0.733 . . . . 0.0 109.57 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 86.3 m -110.95 126.75 55.08 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.3 mtt -64.7 85.5 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.267 -0.896 . . . . 0.0 109.755 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 39.5 p-10 -94.63 -24.22 17.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.405 -0.809 . . . . 0.0 109.895 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 99.2 m-20 -92.33 107.25 19.07 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.223 -0.923 . . . . 0.0 110.087 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -64.56 -39.38 93.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.524 -0.735 . . . . 0.0 109.922 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -66.37 -0.93 2.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.4 -0.813 . . . . 0.0 109.863 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.46 152.03 23.52 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.241 -0.912 . . . . 0.0 109.995 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -89.23 164.46 14.95 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.472 -0.767 . . . . 0.0 110.207 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.414 HD13 HD22 ' A' ' 43' ' ' LEU . 44.0 tp -63.15 -41.49 99.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.508 -0.745 . . . . 0.0 109.292 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.4 -5.74 68.22 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -62.32 -44.76 95.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.234 -1.157 . . . . 0.0 108.825 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -101.72 -51.09 3.52 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.482 -0.761 . . . . 0.0 109.372 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.7 143.71 44.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.36 -0.838 . . . . 0.0 110.204 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -169.57 26.86 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.4 t -149.05 143.18 25.9 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.342 -0.849 . . . . 0.0 109.737 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -85.55 124.41 32.08 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.421 -0.799 . . . . 0.0 109.982 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.16 5.23 15.2 Favored Glycine 0 N--CA 1.502 3.046 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.08 154.12 40.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -1.078 . . . . 0.0 109.668 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -117.5 124.93 49.96 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.709 -0.62 . . . . 0.0 109.539 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.8 mt -105.25 124.41 49.49 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.428 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 82.5 t60 -99.38 128.12 45.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.376 -0.828 . . . . 0.0 109.627 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.3 t -101.13 128.0 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.474 -0.766 . . . . 0.0 109.103 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.65 98.8 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.48 ' CG ' HD21 ' A' ' 22' ' ' ASN . 44.3 p-10 -109.46 141.83 41.34 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.46 -0.775 . . . . 0.0 109.308 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--N 1.305 -1.337 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.549 -179.051 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.374 0.607 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.444 ' O ' ' ND1' ' A' ' 5' ' ' HIS . . . 85.87 151.86 18.06 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -104.43 1.69 30.31 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.561 -0.964 . . . . 0.0 108.686 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.502 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 54.1 p-80 -74.65 -11.75 60.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.539 -0.726 . . . . 0.0 109.166 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 2' ' ' GLY . 29.3 p-80 -68.38 -18.43 64.47 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.275 -0.891 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' HIS . 58.4 m80 -59.1 -45.37 91.05 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.241 -0.912 . . . . 0.0 109.432 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 4' ' ' HIS . 91.1 m-70 37.81 86.39 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.044 0 CA-C-O 121.556 0.693 . . . . 0.0 110.388 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -59.17 -45.37 91.18 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.588 -0.695 . . . . 0.0 110.109 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 m -153.47 150.68 29.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.041 -1.037 . . . . 0.0 109.826 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -67.8 -40.67 83.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.495 -0.753 . . . . 0.0 110.246 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 12' ' ' LYS . . . -156.78 52.6 0.42 Allowed Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.766 -1.334 . . . . 0.0 109.766 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 14' ' ' ASP . 54.4 mtpt 43.04 -167.66 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.54 -0.977 . . . . 0.0 110.821 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 99.7 p 43.56 20.06 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.373 0.606 . . . . 0.0 109.673 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 12' ' ' LYS . 38.7 t70 -79.17 44.31 0.57 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.497 -0.752 . . . . 0.0 109.225 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -131.9 158.47 41.3 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.429 -0.794 . . . . 0.0 109.047 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.7 pt -124.95 155.53 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.437 -0.789 . . . . 0.0 109.328 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -103.29 112.39 25.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.388 -0.82 . . . . 0.0 109.119 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 m -141.23 164.7 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.383 -0.823 . . . . 0.0 109.253 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.32 144.74 28.98 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.456 -0.777 . . . . 0.0 109.24 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.47 132.84 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.501 -0.749 . . . . 0.0 109.094 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 m -131.24 155.22 47.48 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -146.07 132.92 20.1 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.023 -1.048 . . . . 0.0 109.469 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.4 p -75.99 170.17 16.76 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.387 -0.821 . . . . 0.0 110.321 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.7 m80 54.46 15.27 0.97 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.586 -0.696 . . . . 0.0 109.439 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.524 ' OD1' ' HB3' ' A' ' 27' ' ' ALA . 3.6 t-20 -150.32 130.43 13.54 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.21 -0.931 . . . . 0.0 109.543 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.7 p30 -84.28 1.7 43.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.354 -0.841 . . . . 0.0 109.218 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.524 ' HB3' ' OD1' ' A' ' 25' ' ' ASN . . . -79.38 111.54 15.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.41 -0.806 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.6 t -127.01 133.62 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.56 149.72 26.88 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.395 -0.816 . . . . 0.0 109.341 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -128.0 146.15 50.75 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.391 -0.818 . . . . 0.0 110.171 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 46.87 51.81 12.2 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.606 -0.683 . . . . 0.0 110.309 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.6 p -92.63 126.21 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.065 -1.022 . . . . 0.0 109.335 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -74.16 135.27 42.84 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.269 -0.894 . . . . 0.0 109.893 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.87 131.34 37.25 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.409 -0.807 . . . . 0.0 109.452 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.66 135.42 51.35 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.359 -0.838 . . . . 0.0 109.842 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -75.17 -14.34 60.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.472 -0.768 . . . . 0.0 109.55 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -80.06 -0.95 37.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.579 -0.7 . . . . 0.0 109.366 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.0 mt -76.26 138.18 40.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.314 -0.866 . . . . 0.0 110.16 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.433 ' OG1' ' OE1' ' A' ' 42' ' ' GLN . 15.1 p -89.43 168.32 12.3 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.507 -0.745 . . . . 0.0 109.851 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.79 -44.79 99.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.602 -0.686 . . . . 0.0 109.668 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.17 97.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.307 -0.871 . . . . 0.0 109.544 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.433 ' OE1' ' OG1' ' A' ' 39' ' ' THR . 6.1 mp0 -67.55 -36.3 80.71 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.8 tp -62.07 -43.13 99.5 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.31 -0.868 . . . . 0.0 109.065 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.62 -44.06 97.26 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.293 -0.879 . . . . 0.0 109.503 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.8 p -69.55 -39.51 77.39 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.073 -1.017 . . . . 0.0 109.755 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.26 -47.87 80.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.232 -0.918 . . . . 0.0 109.11 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.04 -38.86 89.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.444 -0.785 . . . . 0.0 109.351 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.7 tt0 -50.25 -47.01 55.29 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.396 -0.815 . . . . 0.0 109.034 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.11 -43.15 88.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.478 -0.764 . . . . 0.0 109.478 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.74 -42.66 99.77 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.289 -0.882 . . . . 0.0 110.228 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.5 p -94.42 -18.08 21.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.988 -1.07 . . . . 0.0 109.858 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 72.34 14.28 77.02 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.17 -171.12 37.6 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.1 t -105.68 111.82 24.65 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.542 -0.975 . . . . 0.0 109.294 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.83 -22.73 65.74 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.481 -0.762 . . . . 0.0 110.276 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.33 -3.59 25.84 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.443 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -152.09 9.61 0.51 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.026 -1.279 . . . . 0.0 109.183 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 37.4 ttp -91.86 127.52 37.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.141 -0.975 . . . . 0.0 109.612 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -116.76 151.43 36.45 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.6 t -117.57 133.73 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.537 -0.727 . . . . 0.0 109.083 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -127.96 138.65 52.7 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.578 -0.702 . . . . 0.0 109.409 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.0 t -91.96 134.69 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.394 -0.816 . . . . 0.0 109.214 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.462 ' HE1' ' HG ' ' A' ' 68' ' ' CYS . 29.4 m-85 -126.17 148.38 49.44 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.881 0.848 . . . . 0.0 110.172 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -148.75 95.56 2.44 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.95 -133.64 17.29 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -96.94 10.02 40.3 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.367 -1.078 . . . . 0.0 109.605 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.4 m -126.83 135.36 50.9 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.415 -0.803 . . . . 0.0 109.994 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.462 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 3.2 m -83.12 125.84 31.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.525 -0.735 . . . . 0.0 109.653 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.468 ' O ' ' CB ' ' A' ' 70' ' ' SER . 86.3 t -65.52 -45.87 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.327 -0.858 . . . . 0.0 109.585 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.1 m 166.03 175.92 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.387 -0.821 . . . . 0.0 109.201 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.8 m -113.66 131.69 56.06 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -64.6 84.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.29 -0.881 . . . . 0.0 109.841 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -94.6 -22.02 18.46 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.45 -0.782 . . . . 0.0 109.922 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -83.28 110.53 18.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.147 -0.971 . . . . 0.0 110.46 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -68.31 -33.69 74.77 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.71 -0.619 . . . . 0.0 109.849 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 p-10 -84.01 8.51 15.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.294 -0.879 . . . . 0.0 110.189 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.94 153.23 20.33 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.005 -1.06 . . . . 0.0 109.642 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -93.07 163.48 13.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.26 -0.9 . . . . 0.0 110.416 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.6 tp -63.31 -42.29 99.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.592 -0.693 . . . . 0.0 109.734 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.21 -7.5 63.36 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -63.25 -45.88 89.49 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.268 -1.137 . . . . 0.0 109.226 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -104.99 -30.25 9.92 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.556 -0.715 . . . . 0.0 109.504 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.58 71.66 1.09 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -100.79 7.19 43.9 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.387 -0.821 . . . . 0.0 109.195 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.8 m -134.48 148.55 50.58 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.408 -0.807 . . . . 0.0 109.528 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 54.0 p-10 -84.79 169.38 14.26 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.269 -0.894 . . . . 0.0 110.466 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.95 -4.14 85.89 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.17 168.74 19.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.197 -1.178 . . . . 0.0 109.819 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -124.77 155.46 39.32 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.731 0.777 . . . . 0.0 109.954 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.6 mt -134.97 97.25 3.69 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -87.38 118.2 26.67 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 0.0 109.584 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.04 130.72 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.362 -0.836 . . . . 0.0 109.241 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.5 t -103.1 113.4 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.315 -0.866 . . . . 0.0 109.051 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 94' ' ' ASP . 45.0 p-10 -127.11 113.76 16.83 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.463 -0.773 . . . . 0.0 109.551 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.023 -179.627 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.2 ttm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 4' ' ' HIS . . . -178.32 -165.44 33.03 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 58.75 -74.96 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.486 -1.008 . . . . 0.0 110.185 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 2' ' ' GLY . 93.9 m-70 -60.97 -40.66 94.25 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.324 -0.86 . . . . 0.0 109.893 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -61.48 -42.06 98.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.441 -0.787 . . . . 0.0 110.053 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.63 -44.55 93.55 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.658 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -93.23 173.05 7.92 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.428 -0.795 . . . . 0.0 110.237 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -99.57 109.6 22.1 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.561 -0.712 . . . . 0.0 109.865 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -61.62 -41.24 97.18 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.51 -0.744 . . . . 0.0 109.663 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -63.09 -39.21 94.04 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.552 -0.718 . . . . 0.0 109.227 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.31 18.13 57.79 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.091 -1.603 . . . . 0.0 109.091 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.55 133.42 52.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.478 -1.013 . . . . 0.0 110.035 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.8 p -154.23 112.57 3.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.491 -0.756 . . . . 0.0 109.097 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -114.44 47.29 1.25 Allowed 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -113.43 140.37 48.14 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.44 0.638 . . . . 0.0 109.621 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.6 pt -130.07 154.33 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.513 -0.742 . . . . 0.0 109.61 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -104.1 123.76 47.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.439 -0.788 . . . . 0.0 109.445 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.01 163.22 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.382 -0.824 . . . . 0.0 109.24 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -103.82 143.22 33.11 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.62 -0.675 . . . . 0.0 109.2 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.1 t -123.46 131.33 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.9 t -137.05 153.53 50.59 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.538 ' ND2' ' OD2' ' A' ' 94' ' ' ASP . 43.9 t30 -132.97 140.08 47.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.453 -0.78 . . . . 0.0 109.482 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.9 m -60.07 -37.6 80.4 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.58 -0.7 . . . . 0.0 109.754 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -105.01 153.29 21.65 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.335 -0.853 . . . . 0.0 109.899 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 70.25 149.41 0.08 Allowed 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.356 0.598 . . . . 0.0 109.783 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -90.72 6.08 45.54 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.63 106.68 0.58 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 109.207 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.4 t -131.34 134.49 60.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.506 -0.746 . . . . 0.0 109.035 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.31 148.36 32.08 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.373 -0.83 . . . . 0.0 109.034 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' GLU . 94.4 m-85 -124.51 143.91 50.4 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.424 -0.798 . . . . 0.0 110.321 -179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' PHE . 59.7 mm-40 40.97 42.75 1.6 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.317 0.579 . . . . 0.0 109.83 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.42 130.99 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.2 -0.938 . . . . 0.0 109.52 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -80.23 130.95 35.57 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.344 -0.848 . . . . 0.0 110.406 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -138.55 124.33 19.83 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.31 138.16 56.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.384 -0.822 . . . . 0.0 109.712 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -75.02 -16.26 60.61 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.672 -0.642 . . . . 0.0 110.154 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -81.54 -0.21 41.03 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 0.0 109.412 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.54 HD13 ' HZ2' ' A' ' 46' ' ' LYS . 65.1 mt -78.72 144.27 35.43 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.343 -0.848 . . . . 0.0 109.918 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.6 p -84.78 167.34 16.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.378 -0.826 . . . . 0.0 109.981 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.71 -44.28 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.687 -0.633 . . . . 0.0 109.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.18 95.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.284 -0.885 . . . . 0.0 109.753 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -65.28 -31.62 72.87 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.381 -0.825 . . . . 0.0 109.191 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.479 HD22 HD13 ' A' ' 79' ' ' LEU . 55.4 tp -72.65 -38.16 67.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.569 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -60.47 -46.63 89.37 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.244 -0.91 . . . . 0.0 110.198 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.401 ' H ' HG22 ' A' ' 45' ' ' THR . 1.8 t -63.03 -41.69 99.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.376 -0.828 . . . . 0.0 109.06 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.54 ' HZ2' HD13 ' A' ' 38' ' ' LEU . 97.6 mttt -62.6 -45.12 94.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.236 -0.915 . . . . 0.0 109.185 179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.21 -38.92 89.11 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.436 -0.79 . . . . 0.0 109.199 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 52' ' ' GLY . 47.2 tp10 -51.35 -48.99 62.28 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.429 -0.794 . . . . 0.0 109.61 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.85 -44.05 96.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.803 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.7 -41.51 98.11 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.323 -0.86 . . . . 0.0 110.518 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 p -95.12 -13.44 25.08 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.055 -1.028 . . . . 0.0 109.618 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 54.19 21.02 17.23 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.443 ' O ' ' OE2' ' A' ' 48' ' ' GLU . . . -78.9 -121.1 0.29 Allowed Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.041 -1.224 . . . . 0.0 110.041 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.7 m -148.4 110.43 4.57 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.328 -1.101 . . . . 0.0 109.448 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.29 66.0 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.603 -0.685 . . . . 0.0 109.947 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -80.8 -5.41 90.06 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 58' ' ' MET . 18.9 p -132.61 -56.47 0.95 Allowed 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.209 -1.171 . . . . 0.0 110.051 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.405 ' N ' ' OG1' ' A' ' 57' ' ' THR . 0.5 OUTLIER -42.36 145.71 0.38 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.391 -0.818 . . . . 0.0 110.568 -179.214 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -123.82 152.71 41.97 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.687 -0.633 . . . . 0.0 109.444 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.8 t -114.98 132.1 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.465 -0.772 . . . . 0.0 109.23 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -133.47 150.04 51.73 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.466 -0.771 . . . . 0.0 108.981 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.7 t -100.99 131.98 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.453 -0.779 . . . . 0.0 109.265 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -126.91 143.48 51.26 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 121.68 0.752 . . . . 0.0 109.402 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -136.89 83.58 2.01 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.89 -126.21 7.31 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 35.8 p-10 -98.23 7.84 45.67 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.419 -1.048 . . . . 0.0 109.843 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.4 m -123.05 131.78 53.84 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.475 -0.766 . . . . 0.0 109.981 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -82.92 119.99 25.11 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.371 -0.831 . . . . 0.0 109.534 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 70' ' ' SER . 94.0 t -64.65 -46.48 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.309 -0.87 . . . . 0.0 109.86 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER 164.77 -175.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.36 -0.837 . . . . 0.0 109.422 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.5 m -120.08 133.58 55.48 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.6 mtt -67.72 87.19 0.22 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.303 -0.873 . . . . 0.0 109.94 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.69 -22.74 19.24 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.435 -0.791 . . . . 0.0 109.599 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -88.86 105.97 18.08 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.429 -0.794 . . . . 0.0 110.55 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -68.12 -35.49 78.21 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.697 -0.627 . . . . 0.0 109.668 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -75.18 -4.79 40.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.503 -0.748 . . . . 0.0 109.969 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.57 152.48 28.57 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.221 -0.924 . . . . 0.0 109.983 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -83.97 162.93 20.27 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.379 -0.825 . . . . 0.0 110.614 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.479 HD13 HD22 ' A' ' 43' ' ' LEU . 43.8 tp -63.25 -41.22 99.04 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.57 -0.706 . . . . 0.0 109.273 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.59 -4.27 65.04 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.756 -1.337 . . . . 0.0 109.756 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -62.53 -45.16 94.26 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.317 -1.108 . . . . 0.0 109.273 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -100.03 -27.97 13.3 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.471 -0.768 . . . . 0.0 109.048 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.74 142.28 30.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.453 -0.779 . . . . 0.0 109.426 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -166.45 27.08 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.341 -0.849 . . . . 0.0 108.915 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -149.07 152.59 36.47 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.455 -0.778 . . . . 0.0 109.454 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -92.59 119.49 32.09 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.155 -0.966 . . . . 0.0 109.751 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.61 11.67 5.91 Favored Glycine 0 N--CA 1.501 2.997 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.7 mt -72.18 151.97 42.58 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.397 -1.061 . . . . 0.0 109.356 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -116.43 125.34 51.88 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.8 mt -106.13 133.51 50.73 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -118.2 128.0 54.28 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.9 t -107.93 129.13 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.17 111.91 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.377 -0.827 . . . . 0.0 109.126 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.538 ' OD2' ' ND2' ' A' ' 22' ' ' ASN . 99.6 m-20 -99.86 113.58 26.21 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.314 -0.866 . . . . 0.0 110.039 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.141 179.621 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.581 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.42 -170.19 40.88 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.976 -1.249 . . . . 0.0 109.976 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 6' ' ' HIS . 56.8 t-80 54.64 48.84 19.43 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.421 -1.046 . . . . 0.0 109.454 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -61.15 -45.6 93.99 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.464 -0.773 . . . . 0.0 109.679 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 5' ' ' HIS . 64.3 t-80 -155.81 -0.79 0.14 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.479 -0.763 . . . . 0.0 109.364 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 3' ' ' HIS . 98.6 m-70 -86.47 121.55 29.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.279 -0.888 . . . . 0.0 109.599 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -91.08 7.13 42.01 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.376 -0.828 . . . . 0.0 109.243 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.543 ' CG ' ' N ' ' A' ' 9' ' ' SER . 53.2 t-80 43.21 -116.1 0.4 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.515 -0.74 . . . . 0.0 110.052 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.543 ' N ' ' CG ' ' A' ' 8' ' ' HIS . 23.3 p -154.6 127.54 8.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.112 -0.993 . . . . 0.0 109.548 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -95.34 -7.83 37.5 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.373 -0.829 . . . . 0.0 108.949 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' SER . . . 98.37 -23.62 35.43 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' GLY . 98.3 mttt 38.06 -96.36 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.858 -0.79 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' GLY . 5.4 p 41.13 45.23 2.34 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 121.602 0.715 . . . . 0.0 109.936 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -82.44 12.93 3.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.462 -0.774 . . . . 0.0 109.518 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -113.33 155.89 24.36 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.1 pt -127.22 153.36 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.719 -0.613 . . . . 0.0 109.501 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -95.81 114.73 26.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.49 -0.756 . . . . 0.0 109.395 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.95 165.61 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.558 -0.714 . . . . 0.0 109.659 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -98.71 140.9 32.22 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.698 -0.626 . . . . 0.0 109.443 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.5 t -126.94 135.63 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.613 -0.679 . . . . 0.0 109.287 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.4 p -134.87 154.91 51.47 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.481 -0.762 . . . . 0.0 109.421 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.438 HD22 ' HB3' ' A' ' 27' ' ' ALA . 78.7 m-20 -133.52 132.91 41.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.541 -0.724 . . . . 0.0 109.398 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.471 ' C ' ' H ' ' A' ' 25' ' ' ASN . 43.1 t -77.82 155.61 30.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.388 -0.82 . . . . 0.0 110.219 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 m80 68.06 -38.18 0.36 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.739 -0.601 . . . . 0.0 110.077 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 27' ' ' ALA . 98.9 m-20 -91.11 -7.32 51.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.081 -1.012 . . . . 0.0 109.034 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' ASN . 98.3 m-20 42.73 20.7 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.485 0.66 . . . . 0.0 109.613 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . -84.46 123.5 30.31 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.483 -0.761 . . . . 0.0 109.542 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.2 t -128.22 131.51 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.61 -0.681 . . . . 0.0 109.384 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -111.34 139.42 46.76 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' GLU . 95.5 m-85 -105.02 145.81 29.93 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.51 -0.744 . . . . 0.0 110.654 -178.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' PHE . 98.5 mt-10 35.47 62.98 0.56 Allowed 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 121.32 0.581 . . . . 0.0 110.776 179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 32' ' ' VAL . 11.5 p -90.32 127.02 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.212 -0.93 . . . . 0.0 108.704 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -82.36 120.17 25.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.247 -0.908 . . . . 0.0 110.04 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.4 mt -134.1 132.24 39.69 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.35 130.7 43.9 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.411 -0.806 . . . . 0.0 109.674 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 36' ' ' LYS . 49.3 pttt -74.64 -14.57 60.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.542 -0.724 . . . . 0.0 109.679 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 p30 -79.94 -2.43 43.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.232 -0.918 . . . . 0.0 109.406 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.1 mt -80.81 154.14 27.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.24 -0.912 . . . . 0.0 109.558 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.509 ' OG1' ' NE2' ' A' ' 42' ' ' GLN . 6.4 p -80.31 173.83 12.21 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.314 1.054 . . . . 0.0 110.492 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.47 -42.43 83.84 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 N-CA-C 102.066 -3.309 . . . . 0.0 102.066 173.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.5 -50.76 59.27 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 113.144 -1.844 . . . . 0.0 108.894 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.509 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.2 mp0 -67.15 -38.53 85.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.06 -1.025 . . . . 0.0 108.708 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.518 HD22 HD13 ' A' ' 79' ' ' LEU . 46.8 tp -62.27 -44.49 96.43 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.327 -0.858 . . . . 0.0 109.431 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.65 -40.82 98.22 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -61.68 -46.73 88.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.287 -0.883 . . . . 0.0 109.033 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -63.87 -46.47 84.82 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.207 -0.933 . . . . 0.0 109.177 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 47' ' ' LEU . 97.9 mt -64.5 -35.61 81.51 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.59 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.2 tt0 -58.59 -39.88 81.61 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.38 -43.69 97.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.7 tp -64.61 -41.78 95.97 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-O 121.332 0.587 . . . . 0.0 110.22 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.2 p -93.12 -11.24 33.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.131 -0.981 . . . . 0.0 109.682 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 53.35 16.76 5.16 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -95.61 -147.28 22.4 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -113.91 125.13 53.7 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.651 -0.911 . . . . 0.0 109.847 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.404 ' HB2' ' OE1' ' A' ' 48' ' ' GLU . . . -64.72 -34.77 79.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.425 -0.797 . . . . 0.0 110.006 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.07 -37.78 93.31 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -97.98 2.27 48.77 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.057 -1.26 . . . . 0.0 109.751 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.3 ttm -79.69 138.55 37.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.375 -0.828 . . . . 0.0 109.793 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -123.19 139.21 54.29 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.503 HG11 ' SD ' ' A' ' 72' ' ' MET . 51.7 t -114.36 131.67 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -130.67 123.82 30.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.494 -0.754 . . . . 0.0 109.708 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.83 131.86 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.595 -0.691 . . . . 0.0 109.421 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -129.24 144.59 51.28 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-O 121.819 0.818 . . . . 0.0 110.292 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -147.97 80.44 1.48 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.97 -136.53 12.98 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -94.66 6.55 48.57 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.395 -1.062 . . . . 0.0 110.278 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.6 m -126.51 136.31 52.44 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.394 -0.816 . . . . 0.0 110.23 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.8 t -78.03 122.73 25.94 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.523 -0.736 . . . . 0.0 109.322 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.26 -49.43 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.272 -0.893 . . . . 0.0 110.2 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.1 p -172.51 164.09 5.52 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.148 -0.97 . . . . 0.0 109.788 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.1 m -118.04 127.49 53.85 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.503 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.8 mtt -67.7 90.11 0.27 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.236 -0.915 . . . . 0.0 109.843 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 67.3 t0 -93.67 -30.24 15.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.438 -0.789 . . . . 0.0 109.714 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -90.86 111.43 22.84 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.293 -0.879 . . . . 0.0 109.648 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 51.8 p-10 -72.35 -19.13 61.69 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.341 -0.849 . . . . 0.0 109.857 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 23.9 p30 -88.01 0.09 56.37 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.363 -0.835 . . . . 0.0 109.646 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.1 153.9 27.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.305 -0.872 . . . . 0.0 109.574 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -81.87 157.01 24.54 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.381 -0.824 . . . . 0.0 110.301 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.518 HD13 HD22 ' A' ' 43' ' ' LEU . 38.5 tp -62.51 -41.9 99.14 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.5 -0.75 . . . . 0.0 109.678 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.66 -5.48 51.14 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -62.32 -46.42 88.81 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.232 -1.158 . . . . 0.0 108.712 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -106.21 -29.33 9.9 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.607 -0.683 . . . . 0.0 109.275 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.71 69.61 1.61 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.521 -0.737 . . . . 0.0 109.215 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -98.16 7.14 46.71 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.359 -0.838 . . . . 0.0 109.505 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 t -141.67 145.72 35.27 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.327 -0.858 . . . . 0.0 109.473 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.4 p30 -83.02 169.69 15.68 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.335 -0.853 . . . . 0.0 110.025 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.4 -5.94 84.22 Favored Glycine 0 N--CA 1.495 2.61 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -75.9 153.76 36.48 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.331 -1.099 . . . . 0.0 109.208 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -115.03 129.37 56.69 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.492 -0.755 . . . . 0.0 109.374 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.66 126.98 53.57 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -114.29 120.41 40.31 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.49 0.662 . . . . 0.0 109.539 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -93.48 131.12 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.595 -0.691 . . . . 0.0 109.368 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 49.1 t -118.08 113.31 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -102.15 111.59 23.94 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.549 -0.719 . . . . 0.0 109.77 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.906 -1.045 . . . . 0.0 109.42 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.7 mtp . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.497 0.665 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.64 18.67 51.88 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -60.78 -41.21 95.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.338 -1.095 . . . . 0.0 109.525 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -100.84 114.51 28.39 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.309 -0.87 . . . . 0.0 109.925 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 54.45 105.81 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.724 0.773 . . . . 0.0 110.285 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -71.88 -18.78 62.02 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.504 -0.748 . . . . 0.0 109.004 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -151.45 163.78 38.23 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.282 -0.886 . . . . 0.0 110.083 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -144.02 126.98 16.39 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.219 -0.925 . . . . 0.0 109.797 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -61.93 -42.68 99.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.402 -0.811 . . . . 0.0 109.741 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -146.4 145.1 30.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.148 -0.97 . . . . 0.0 109.77 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.49 -128.59 2.38 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -75.3 144.37 42.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.489 -1.007 . . . . 0.0 110.17 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.8 t -70.75 107.41 3.95 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.609 -0.682 . . . . 0.0 110.06 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -103.17 69.05 1.0 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.454 -0.779 . . . . 0.0 109.426 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 35' ' ' ALA . 79.0 m-85 -129.74 147.17 51.49 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.551 -0.718 . . . . 0.0 109.576 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.2 pt -132.48 147.11 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.479 -0.763 . . . . 0.0 109.767 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -90.56 127.75 36.36 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.703 0.763 . . . . 0.0 110.274 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.1 162.06 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.476 -0.765 . . . . 0.0 109.949 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -100.4 138.14 37.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.461 -0.775 . . . . 0.0 109.237 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -125.2 132.78 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 CA-C-O 121.606 0.717 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.7 p -136.92 162.67 32.62 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.656 0.741 . . . . 0.0 109.656 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -143.39 139.79 30.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.391 -0.818 . . . . 0.0 109.431 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.3 m -60.41 -38.93 85.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.567 -0.708 . . . . 0.0 110.122 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.421 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 76.4 m80 -100.55 159.94 14.75 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.274 -0.891 . . . . 0.0 110.64 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m120 60.57 145.18 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.83 0.824 . . . . 0.0 109.942 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -85.08 9.34 15.08 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 0.0 108.749 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.84 107.3 1.77 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.529 -0.732 . . . . 0.0 109.625 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -131.46 133.78 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.86 139.29 42.67 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.516 -0.74 . . . . 0.0 109.17 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 31' ' ' GLU . 69.3 m-85 -111.83 145.59 39.17 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.686 -0.634 . . . . 0.0 110.266 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 30' ' ' PHE . 16.2 pt-20 33.52 45.11 0.08 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.4 0.619 . . . . 0.0 110.791 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.0 p -78.41 126.41 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -84.75 136.66 33.61 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.641 0.734 . . . . 0.0 110.574 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.6 mt -137.1 142.89 42.32 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.477 -0.764 . . . . 0.0 109.611 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.475 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . . . -70.39 138.19 51.1 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.745 0.783 . . . . 0.0 109.482 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -75.09 -15.0 60.63 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.466 -0.771 . . . . 0.0 109.82 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.11 -1.35 43.97 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 0.0 109.436 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.462 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 96.1 mt -76.48 143.42 40.5 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.143 -0.973 . . . . 0.0 110.231 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.4 p -85.67 165.53 16.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.421 -0.799 . . . . 0.0 110.47 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.46 -43.52 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.68 -0.638 . . . . 0.0 110.09 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.93 98.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.191 -0.943 . . . . 0.0 109.836 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.26 -35.13 79.32 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.337 -0.852 . . . . 0.0 109.324 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -63.85 -39.48 94.31 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.551 -0.718 . . . . 0.0 109.381 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.511 ' HZ1' ' HB ' ' A' ' 60' ' ' VAL . 14.4 mptt -62.05 -42.8 99.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.478 -0.764 . . . . 0.0 109.276 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.4 p -59.66 -44.21 93.65 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.233 -0.917 . . . . 0.0 109.61 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -62.98 -43.18 99.51 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 109.473 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.58 -38.54 89.82 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.452 -0.78 . . . . 0.0 109.361 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 52' ' ' GLY . 82.7 tt0 -56.78 -37.43 71.1 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.2 mm -68.6 -43.58 83.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.411 -0.806 . . . . 0.0 108.967 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.33 -40.84 96.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.435 -0.79 . . . . 0.0 110.146 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.2 p -94.15 -14.93 25.14 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.061 -1.024 . . . . 0.0 109.367 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 63.36 19.75 62.46 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.86 -145.84 16.55 Favored Glycine 0 N--CA 1.494 2.556 0 O-C-N 121.248 -1.148 . . . . 0.0 110.292 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.4 m -123.89 132.38 53.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.586 -0.949 . . . . 0.0 109.434 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.46 -13.83 60.4 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.685 -0.635 . . . . 0.0 109.607 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.59 -0.98 64.56 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.402 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.0 OUTLIER -146.46 17.85 1.33 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.415 -1.05 . . . . 0.0 108.29 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.7 ttm -87.71 132.85 33.98 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.448 -0.782 . . . . 0.0 110.628 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.487 ' C ' HE22 ' A' ' 61' ' ' GLN . 52.9 mtpt -127.02 133.75 50.47 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.511 ' HB ' ' HZ1' ' A' ' 44' ' ' LYS . 53.4 t -119.99 134.4 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.53 -0.731 . . . . 0.0 109.238 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.488 ' CD ' ' N ' ' A' ' 61' ' ' GLN . 19.2 mp0 -127.51 132.49 49.94 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.509 0.671 . . . . 0.0 109.214 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.5 t -83.56 134.14 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.53 -0.731 . . . . 0.0 109.837 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -126.67 144.65 50.85 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.89 0.852 . . . . 0.0 109.859 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -144.3 87.89 1.91 Allowed 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.27 -127.56 8.01 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -100.91 11.72 39.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.336 -1.097 . . . . 0.0 109.114 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.1 m -130.01 130.67 45.28 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 121.757 0.789 . . . . 0.0 110.266 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.5 t -79.23 124.69 28.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.448 -0.782 . . . . 0.0 109.721 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 70' ' ' SER . 88.3 t -65.97 -45.68 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.351 -0.843 . . . . 0.0 109.596 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 166.75 177.02 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.261 -0.899 . . . . 0.0 109.905 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 89.9 m -114.79 130.32 56.84 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.625 0.726 . . . . 0.0 109.515 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt -65.64 84.39 0.07 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.463 -0.773 . . . . 0.0 109.784 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -92.48 -20.06 21.36 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.613 -0.68 . . . . 0.0 109.414 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -89.5 104.99 17.5 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.07 -1.019 . . . . 0.0 109.937 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.94 -34.16 74.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.6 -0.688 . . . . 0.0 109.446 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 38.9 p-10 -77.32 -2.23 33.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.402 -0.811 . . . . 0.0 109.721 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.37 148.94 25.36 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.258 -0.901 . . . . 0.0 110.032 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -80.13 165.59 22.32 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.839 0.828 . . . . 0.0 110.615 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.46 -41.47 98.61 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.601 -0.687 . . . . 0.0 109.467 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.75 -3.88 51.6 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -62.5 -44.96 95.11 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.343 -1.093 . . . . 0.0 109.434 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -105.26 -27.73 11.36 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.477 -0.764 . . . . 0.0 109.078 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.42 80.63 2.1 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.434 -0.791 . . . . 0.0 109.318 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -101.88 11.69 38.21 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -146.43 147.94 31.77 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.275 -0.89 . . . . 0.0 109.975 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -82.55 167.68 18.11 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.351 -0.843 . . . . 0.0 110.592 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.84 -3.4 82.97 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.9 mt -74.84 152.02 38.98 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.365 -1.08 . . . . 0.0 110.023 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -120.82 131.13 54.28 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.576 -0.703 . . . . 0.0 109.6 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -107.27 132.25 53.3 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -110.71 118.82 37.2 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.527 0.679 . . . . 0.0 109.498 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.3 t -91.17 130.11 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.695 -0.628 . . . . 0.0 109.613 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.6 t -121.05 103.04 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.421 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 39.2 p-10 -102.56 111.67 24.08 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.635 -0.666 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 117.979 -1.01 . . . . 0.0 108.964 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.365 0.603 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.81 -39.16 94.99 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 -153.87 148.27 26.06 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -1.172 . . . . 0.0 109.695 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -134.3 -37.45 0.87 Allowed 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 46.62 90.12 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.311 -0.868 . . . . 0.0 110.107 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.518 ' O ' ' ND1' ' A' ' 7' ' ' HIS . 61.1 t60 -65.42 -48.13 73.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.481 -0.762 . . . . 0.0 109.439 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.527 ' O ' ' ND1' ' A' ' 8' ' ' HIS . 40.8 m80 -153.62 139.16 17.76 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.111 -0.993 . . . . 0.0 110.005 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' A' ' 7' ' ' HIS . 52.1 m80 -154.11 -3.66 0.18 Allowed 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.2 p -152.33 135.13 15.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 0.0 109.314 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.511 ' ND1' ' N ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -107.49 123.4 48.36 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.548 -0.72 . . . . 0.0 109.943 -179.849 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.61 -173.42 54.44 Favored Glycine 0 N--CA 1.491 2.302 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.117 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt 47.92 30.29 1.93 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.663 -0.904 . . . . 0.0 110.214 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.8 p -73.66 163.64 27.72 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.129 -0.982 . . . . 0.0 110.229 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -131.79 57.61 1.77 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.569 -0.707 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.95 145.92 52.19 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.6 pt -133.17 160.92 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.511 -0.743 . . . . 0.0 109.971 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -116.8 120.74 39.49 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.92 168.02 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.536 -0.728 . . . . 0.0 109.718 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -98.89 141.67 31.38 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.495 -0.753 . . . . 0.0 109.461 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.9 t -122.97 132.91 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.524 -0.735 . . . . 0.0 109.426 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.9 t -150.69 178.13 9.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.458 -0.776 . . . . 0.0 109.618 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -147.61 167.15 25.3 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.304 -0.873 . . . . 0.0 109.849 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.8 t -63.01 -42.35 99.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.526 -0.734 . . . . 0.0 110.032 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -68.81 -10.52 57.24 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.224 -0.923 . . . . 0.0 108.611 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER 50.92 -121.38 1.77 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.58 -0.7 . . . . 0.0 109.908 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.506 ' N ' ' ND2' ' A' ' 25' ' ' ASN . 99.1 m-20 57.32 -68.99 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.391 0.615 . . . . 0.0 109.939 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.613 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . -97.25 118.44 33.71 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.328 -0.858 . . . . 0.0 109.811 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.23 133.71 66.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.47 129.33 55.56 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -111.02 148.13 33.24 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.562 0.696 . . . . 0.0 110.204 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 55.43 60.81 3.16 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.723 -0.611 . . . . 0.0 110.337 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 1.6 m -85.95 129.81 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 121.086 -1.009 . . . . 0.0 109.414 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -107.01 106.13 16.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.318 -0.863 . . . . 0.0 108.803 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.2 mt -127.15 144.13 51.11 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.482 -0.761 . . . . 0.0 109.193 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.31 144.11 42.59 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.525 -0.734 . . . . 0.0 110.359 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -72.84 -12.99 61.19 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.548 -0.72 . . . . 0.0 109.588 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -81.1 -0.79 41.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.276 -0.89 . . . . 0.0 109.743 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.5 142.3 37.55 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.878 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.5 p -84.66 165.87 17.55 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.304 -0.873 . . . . 0.0 110.267 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.22 -43.35 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.591 -0.693 . . . . 0.0 109.605 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.05 96.36 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.269 -0.895 . . . . 0.0 109.579 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.78 -36.47 82.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 0.0 108.962 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.482 HD22 HD13 ' A' ' 79' ' ' LEU . 55.7 tp -62.92 -42.6 99.85 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.391 -0.818 . . . . 0.0 109.137 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -63.11 -38.37 90.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.504 -0.747 . . . . 0.0 109.489 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.0 m -59.93 -46.25 89.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.376 -0.828 . . . . 0.0 109.148 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.66 -43.68 96.02 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.297 -0.877 . . . . 0.0 109.223 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.87 -38.85 92.36 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.363 -0.836 . . . . 0.0 109.327 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 52' ' ' GLY . 80.7 tt0 -54.78 -48.05 73.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.298 -0.876 . . . . 0.0 109.257 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.75 -43.51 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.259 -0.9 . . . . 0.0 109.431 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.21 -41.7 96.93 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.469 -0.769 . . . . 0.0 110.483 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.6 p -94.56 -13.64 25.81 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.991 -1.068 . . . . 0.0 109.365 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.84 11.32 53.97 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.52 -159.41 23.55 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.2 m -118.89 122.17 41.68 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.657 -0.908 . . . . 0.0 109.336 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.94 68.65 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.515 -0.741 . . . . 0.0 109.777 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.83 -5.79 33.62 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.244 -1.142 . . . . 0.0 110.244 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 t -140.73 1.92 1.75 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.168 -1.196 . . . . 0.0 109.332 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.2 ttm -78.94 139.43 38.25 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 110.193 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -124.71 141.09 52.35 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.565 -0.709 . . . . 0.0 109.602 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.3 t -115.17 132.32 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.675 -0.641 . . . . 0.0 109.327 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -127.87 130.49 48.64 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.14 132.58 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.397 -0.814 . . . . 0.0 109.565 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -127.05 144.88 50.91 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.759 0.79 . . . . 0.0 110.109 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -141.31 82.62 1.83 Allowed 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.41 -129.03 9.06 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -96.87 3.98 51.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.469 -1.018 . . . . 0.0 109.603 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.1 m -126.26 132.71 51.64 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.45 -0.781 . . . . 0.0 110.461 -178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.4 p -80.77 125.2 29.77 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.507 -0.745 . . . . 0.0 110.047 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.448 ' O ' ' OG ' ' A' ' 70' ' ' SER . 11.2 t -66.05 -44.88 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.406 -0.809 . . . . 0.0 109.31 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 69' ' ' VAL . 2.2 m 171.4 179.16 0.06 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.433 -0.792 . . . . 0.0 109.345 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 99.1 m -119.0 130.43 55.68 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.431 0.634 . . . . 0.0 109.64 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.3 mtt -63.81 84.98 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.588 -0.695 . . . . 0.0 109.603 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 28.5 p30 -93.57 -19.92 20.73 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.466 -0.771 . . . . 0.0 109.678 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 55.3 t-20 -95.42 106.35 18.4 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.162 -0.961 . . . . 0.0 110.065 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -67.47 -35.48 79.27 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.713 -0.617 . . . . 0.0 110.025 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -73.88 -4.49 35.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 110.115 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.87 153.8 27.42 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.126 -0.984 . . . . 0.0 110.509 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -81.57 162.38 23.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.584 -0.698 . . . . 0.0 110.477 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.482 HD13 HD22 ' A' ' 43' ' ' LEU . 40.5 tp -63.12 -41.8 99.4 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.471 -0.768 . . . . 0.0 109.714 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.88 -3.67 56.29 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -63.08 -44.98 94.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.337 -1.096 . . . . 0.0 109.598 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -106.26 -31.0 8.84 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.501 -0.75 . . . . 0.0 109.426 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.43 77.65 1.3 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.476 -0.765 . . . . 0.0 109.178 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -100.22 5.86 44.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.439 -0.788 . . . . 0.0 109.397 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.2 m -134.63 149.09 50.52 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.365 -0.834 . . . . 0.0 109.807 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -84.86 171.56 12.12 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.435 -0.791 . . . . 0.0 110.377 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.79 -1.88 87.94 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.6 mt -78.89 160.38 27.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.369 -1.077 . . . . 0.0 110.081 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -126.18 135.87 52.16 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.481 0.657 . . . . 0.0 109.685 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.1 mt -107.86 129.91 55.04 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -112.32 114.58 27.41 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.0 t -96.57 126.98 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.373 -0.83 . . . . 0.0 109.427 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.59 117.08 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -112.92 145.46 40.71 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.408 0.623 . . . . 0.0 109.942 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.008 179.683 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.1 ttp . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.308 0.575 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.9 -131.89 46.12 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -150.22 164.7 35.03 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.257 -1.143 . . . . 0.0 109.711 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -82.98 133.84 35.09 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.43 -0.794 . . . . 0.0 110.194 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -78.63 160.65 27.43 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.469 -0.77 . . . . 0.0 110.429 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 57.87 95.43 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 CA-C-O 121.312 0.577 . . . . 0.0 110.078 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -150.52 164.49 35.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.48 -0.763 . . . . 0.0 109.624 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.579 ' CD2' ' H ' ' A' ' 9' ' ' SER . 86.4 t60 49.16 -111.24 0.45 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.536 -0.728 . . . . 0.0 110.27 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.579 ' H ' ' CD2' ' A' ' 8' ' ' HIS . 24.7 p -157.45 163.12 38.84 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.212 -0.93 . . . . 0.0 109.735 -179.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -144.87 160.37 41.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.432 -0.793 . . . . 0.0 109.436 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.4 -99.86 0.27 Allowed Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -156.11 114.34 3.36 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.18 -1.188 . . . . 0.0 109.578 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.8 m -145.19 -61.17 0.35 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.47 -0.769 . . . . 0.0 109.047 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -89.12 1.31 55.8 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.453 -0.779 . . . . 0.0 109.565 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -111.03 146.71 36.23 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.555 -0.716 . . . . 0.0 110.105 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.2 pt -127.23 159.87 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -101.35 119.75 39.23 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.312 -0.868 . . . . 0.0 109.619 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -138.55 165.17 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.532 -0.73 . . . . 0.0 109.636 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -102.04 142.54 33.15 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.621 -0.674 . . . . 0.0 109.523 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -125.83 135.08 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.624 -0.672 . . . . 0.0 109.188 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 96.5 p -145.27 166.16 26.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.337 -0.852 . . . . 0.0 108.871 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.512 HD22 HG22 ' A' ' 51' ' ' THR . 28.7 p30 -143.02 154.28 43.83 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.237 -0.914 . . . . 0.0 109.935 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 m -62.51 -41.77 99.06 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.574 -0.704 . . . . 0.0 110.17 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 25' ' ' ASN . 75.9 m80 -91.66 153.15 19.88 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.136 -0.977 . . . . 0.0 110.62 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' HIS . 75.0 m-20 59.08 143.2 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.673 0.749 . . . . 0.0 110.599 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -84.8 4.08 34.68 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.84 109.23 0.6 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.494 -0.754 . . . . 0.0 109.664 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -126.15 133.36 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.525 -0.734 . . . . 0.0 109.228 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.8 139.79 36.96 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -118.49 143.62 46.6 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.504 -0.748 . . . . 0.0 110.296 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 48.24 51.41 14.96 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.561 -0.712 . . . . 0.0 109.573 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 32' ' ' VAL . 9.8 p -84.44 125.46 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.343 -0.848 . . . . 0.0 109.587 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -81.85 120.16 24.83 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.309 -0.869 . . . . 0.0 109.994 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.3 mt -135.58 138.3 42.84 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.478 -0.764 . . . . 0.0 109.246 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.36 127.82 33.84 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.438 -0.789 . . . . 0.0 109.803 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -75.39 -11.74 60.11 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.58 -0.7 . . . . 0.0 109.834 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -80.46 -1.11 40.19 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.197 -0.939 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -77.19 149.84 35.51 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.349 -0.845 . . . . 0.0 111.008 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.1 p -83.17 165.27 19.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.497 -0.752 . . . . 0.0 110.292 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.51 -43.71 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.502 -0.749 . . . . 0.0 109.933 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.16 98.49 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.239 -0.913 . . . . 0.0 110.066 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -65.26 -34.66 78.87 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.203 -0.936 . . . . 0.0 109.21 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.458 HD22 HD13 ' A' ' 79' ' ' LEU . 57.0 tp -62.74 -41.01 98.97 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.389 -0.819 . . . . 0.0 109.044 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.82 -40.08 91.38 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.336 -0.852 . . . . 0.0 109.103 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.2 m -61.21 -45.9 92.66 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.289 -0.882 . . . . 0.0 109.272 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -63.58 -43.51 96.79 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.317 -0.864 . . . . 0.0 109.142 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.15 -38.91 93.05 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.548 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.9 tt0 -54.08 -46.23 71.96 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.248 -0.907 . . . . 0.0 109.45 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.12 -43.43 98.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 O-C-N 120.717 -1.24 . . . . 0.0 108.979 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.04 -45.21 82.25 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.323 -0.86 . . . . 0.0 111.355 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.512 HG22 HD22 ' A' ' 22' ' ' ASN . 67.5 p -107.1 -47.23 3.73 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.157 -0.965 . . . . 0.0 110.352 -178.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 76.64 23.76 69.25 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.81 34.32 2.98 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.5 m 64.96 109.46 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.652 -0.91 . . . . 0.0 110.184 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.76 78.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.753 -0.592 . . . . 0.0 109.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.88 -34.79 90.83 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 m -98.56 -11.57 22.06 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.161 -1.199 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.5 ttm -68.87 140.33 55.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 109.801 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -127.23 146.5 50.4 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.594 -0.691 . . . . 0.0 109.233 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG11 ' SD ' ' A' ' 72' ' ' MET . 49.9 t -114.03 131.9 64.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.608 -0.683 . . . . 0.0 109.172 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -133.63 133.09 41.54 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.2 t -90.01 132.55 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.379 -0.826 . . . . 0.0 109.428 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -128.8 147.78 50.82 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.664 -0.648 . . . . 0.0 109.502 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -142.51 95.84 2.85 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.73 -96.44 1.29 Allowed Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -133.74 24.16 3.99 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.507 -0.996 . . . . 0.0 109.171 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.4 t -140.01 144.39 36.91 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.352 -0.843 . . . . 0.0 110.173 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.1 t -89.33 120.4 30.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.543 -0.723 . . . . 0.0 109.974 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.38 -44.9 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.248 -0.907 . . . . 0.0 109.142 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 m 172.61 170.31 0.12 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.507 -0.746 . . . . 0.0 109.081 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' ASP . 53.7 m -110.96 128.4 55.82 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.632 -0.668 . . . . 0.0 109.307 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.45 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.3 mtt -63.19 83.25 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.24 -0.913 . . . . 0.0 109.302 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 74' ' ' ASN . 48.0 p-10 -90.93 -23.4 20.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.39 -0.819 . . . . 0.0 109.305 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 25.7 t-20 -95.57 105.37 17.34 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.324 -0.86 . . . . 0.0 109.851 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -65.49 -37.75 87.73 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.629 -0.669 . . . . 0.0 109.73 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -62.87 -3.89 1.84 Allowed 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.287 -0.883 . . . . 0.0 109.238 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.428 ' N ' ' OD1' ' A' ' 74' ' ' ASN . . . -82.27 154.07 25.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.337 -0.852 . . . . 0.0 109.985 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -90.46 162.43 15.08 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.34 -0.85 . . . . 0.0 110.226 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.458 HD13 HD22 ' A' ' 43' ' ' LEU . 47.2 tp -64.22 -40.07 95.29 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.598 -0.689 . . . . 0.0 109.679 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.84 -6.22 71.97 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -62.93 -44.25 96.59 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.488 -1.007 . . . . 0.0 109.23 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -106.48 -27.79 10.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.624 -0.672 . . . . 0.0 109.347 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.8 64.4 1.08 Allowed 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.9 p30 -96.29 8.37 44.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.471 -0.768 . . . . 0.0 109.565 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.2 t -137.66 141.19 41.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.305 -0.872 . . . . 0.0 109.703 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -80.55 162.08 24.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.493 -0.755 . . . . 0.0 110.469 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.58 -1.24 75.35 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.1 mt -77.16 155.77 32.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.304 -1.115 . . . . 0.0 110.072 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -116.01 125.92 53.12 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -105.05 131.1 52.98 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -119.5 128.67 54.19 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.4 t -101.99 130.34 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 88.8 t -111.41 110.82 33.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.656 -0.653 . . . . 0.0 109.324 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -96.99 141.05 30.62 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.476 -0.765 . . . . 0.0 109.738 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.91 179.884 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 121.492 0.663 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.43 -5.29 83.85 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -67.8 -39.86 83.95 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.827 -0.808 . . . . 0.0 109.849 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -71.86 137.77 47.75 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.603 0.716 . . . . 0.0 109.988 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.522 ' C ' ' H ' ' A' ' 7' ' ' HIS . 98.3 m-70 -96.09 167.39 11.25 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.345 0.593 . . . . 0.0 110.047 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 68.09 -37.55 0.34 Allowed 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.522 ' H ' ' C ' ' A' ' 5' ' ' HIS . 72.0 m80 -66.62 -42.11 87.32 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -94.58 -168.03 1.76 Allowed 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.701 0.762 . . . . 0.0 110.143 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 m -73.86 171.68 12.94 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.53 0.681 . . . . 0.0 110.726 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.2 t60 59.21 84.56 0.11 Allowed 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.622 0.725 . . . . 0.0 110.148 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.78 -121.89 0.8 Allowed Glycine 0 N--CA 1.489 2.2 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.4 tttp 57.24 101.93 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 CA-C-O 121.638 0.732 . . . . 0.0 110.005 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.2 p -159.95 86.9 0.78 Allowed 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.674 0.749 . . . . 0.0 109.398 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -101.93 51.99 0.82 Allowed 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -129.73 145.24 51.55 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.584 0.707 . . . . 0.0 109.135 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 pt -128.31 152.38 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 CA-C-O 121.708 0.766 . . . . 0.0 110.263 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -99.16 118.28 35.54 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.725 0.774 . . . . 0.0 110.417 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.13 165.75 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 CA-C-O 121.653 0.74 . . . . 0.0 109.923 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.511 ' OD1' ' N ' ' A' ' 20' ' ' VAL . 61.2 t-20 -101.89 141.82 34.15 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.541 0.686 . . . . 0.0 109.675 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.511 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 54.9 t -124.68 133.42 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 CA-C-O 121.918 0.866 . . . . 0.0 109.623 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 t -135.15 148.37 49.71 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.596 0.712 . . . . 0.0 109.832 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -119.48 133.02 55.88 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.788 0.804 . . . . 0.0 109.549 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.8 t -63.54 -44.48 94.06 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.934 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -116.97 82.24 1.77 Allowed 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.63 0.729 . . . . 0.0 110.162 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 27' ' ' ALA . 1.9 t30 -175.22 -24.03 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.0 t0 62.75 -0.56 0.55 Allowed 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 25' ' ' ASN . . . -95.04 129.78 41.99 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.642 0.735 . . . . 0.0 110.21 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.1 t -129.71 132.01 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-O 121.601 0.715 . . . . 0.0 110.056 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.14 136.47 44.58 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.444 0.64 . . . . 0.0 109.476 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -116.18 142.25 47.07 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.933 0.873 . . . . 0.0 111.197 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 51.75 48.72 22.28 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.468 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 32' ' ' VAL . 6.2 p -90.77 116.56 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 CA-C-O 121.774 0.797 . . . . 0.0 109.728 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -83.2 130.42 35.09 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.852 0.834 . . . . 0.0 109.899 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.4 mt -139.61 142.0 37.1 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.664 0.745 . . . . 0.0 109.588 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.31 129.2 39.0 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.817 0.818 . . . . 0.0 110.015 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -75.51 -15.4 60.4 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.958 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -80.92 -2.07 46.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.741 -0.599 . . . . 0.0 109.66 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.495 HD13 ' NZ ' ' A' ' 46' ' ' LYS . 77.3 mt -76.56 145.57 38.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 109.982 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.2 p -85.81 166.38 16.1 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-O 121.622 0.725 . . . . 0.0 110.106 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.54 -43.45 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 CA-C-O 121.173 0.511 . . . . 0.0 109.779 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.61 -44.55 89.95 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.753 -0.592 . . . . 0.0 109.598 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -66.19 -41.15 90.64 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.757 -0.59 . . . . 0.0 109.447 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.81 -38.56 89.27 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.02 -42.54 90.4 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.792 -0.568 . . . . 0.0 109.526 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.9 p -63.8 -41.35 97.93 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' NZ ' HD13 ' A' ' 38' ' ' LEU . 98.6 mttt -63.35 -41.8 98.86 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.61 -38.45 91.05 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 52' ' ' GLY . 12.0 tm-20 -54.27 -47.36 72.41 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.876 -0.515 . . . . 0.0 109.926 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 92.0 mt -66.16 -42.84 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.61 -41.95 98.25 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.971 -0.456 . . . . 0.0 110.318 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.8 p -94.03 -16.52 23.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.633 -0.667 . . . . 0.0 109.452 -178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.38 15.49 61.39 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.18 -157.27 31.84 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -111.87 123.28 49.91 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.612 0.72 . . . . 0.0 109.49 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 -23.19 67.17 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 121.226 0.536 . . . . 0.0 109.808 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.9 -42.14 99.54 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.401 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -106.55 10.91 31.09 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.498 -1.001 . . . . 0.0 109.897 -178.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.6 ttm -77.69 135.64 38.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.447 -0.783 . . . . 0.0 110.169 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -131.09 138.17 49.43 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.588 0.709 . . . . 0.0 109.641 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.514 HG11 ' SD ' ' A' ' 72' ' ' MET . 53.3 t -110.51 131.44 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-O 121.617 0.723 . . . . 0.0 109.495 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -133.57 123.58 25.38 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.734 0.778 . . . . 0.0 109.789 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.6 t -78.07 134.31 28.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-O 121.569 0.699 . . . . 0.0 109.577 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -126.38 146.74 49.94 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.06 0.933 . . . . 0.0 110.33 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -152.93 95.86 2.03 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.19 -129.44 10.6 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.6 p30 -98.9 7.53 45.93 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 122.089 -0.653 . . . . 0.0 109.351 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.6 m -129.36 134.58 47.95 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.89 0.853 . . . . 0.0 110.903 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.8 m -82.65 124.73 30.46 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.329 0.585 . . . . 0.0 109.469 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.6 t -66.7 -50.04 69.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.886 -0.509 . . . . 0.0 110.159 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -174.55 170.32 3.51 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.766 0.793 . . . . 0.0 110.628 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 73' ' ' ASP . 64.7 m -116.34 127.19 54.45 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.445 0.64 . . . . 0.0 109.405 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.514 ' SD ' HG11 ' A' ' 60' ' ' VAL . 64.4 mtt -68.75 65.12 0.12 Allowed 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.481 0.658 . . . . 0.0 109.421 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 71' ' ' THR . 36.9 p-10 -82.19 -7.09 59.61 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.63 110.08 21.9 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.736 0.779 . . . . 0.0 109.523 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 43.7 p-10 -75.06 -17.07 60.54 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 36.2 p30 -93.44 -2.34 54.67 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.97 151.98 28.22 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.703 0.763 . . . . 0.0 110.462 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -85.15 159.8 20.07 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.617 0.722 . . . . 0.0 110.452 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.14 -39.8 94.8 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.37 -9.33 77.33 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -62.99 -44.5 95.87 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.723 -0.869 . . . . 0.0 109.126 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -104.8 -25.97 12.43 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.34 70.55 0.97 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.587 -0.696 . . . . 0.0 109.135 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.0 p30 -97.24 12.01 34.41 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.1 t -149.48 149.25 30.47 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.707 0.765 . . . . 0.0 110.065 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -83.52 167.83 17.03 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.481 0.657 . . . . 0.0 110.251 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.05 -1.95 85.17 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.66 154.24 34.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.826 -0.808 . . . . 0.0 110.274 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -122.18 128.7 51.54 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.759 0.79 . . . . 0.0 109.997 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.1 mt -104.58 131.47 51.95 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.431 0.634 . . . . 0.0 109.832 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -114.63 116.85 29.39 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.642 0.735 . . . . 0.0 109.62 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 87.1 t -90.91 132.26 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 CA-C-O 121.419 0.628 . . . . 0.0 109.698 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -118.77 116.24 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 CA-C-O 121.759 0.79 . . . . 0.0 109.553 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -112.47 111.95 23.16 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.582 0.706 . . . . 0.0 110.036 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.66 179.278 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.93 -165.22 32.01 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -66.01 -35.49 80.7 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.394 -1.063 . . . . 0.0 109.682 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.459 ' C ' ' H ' ' A' ' 6' ' ' HIS . 78.0 m80 -69.94 158.95 34.63 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.89 . . . . 0.0 110.527 -179.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 57.45 6.06 0.36 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.486 -0.759 . . . . 0.0 109.352 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.459 ' H ' ' C ' ' A' ' 4' ' ' HIS . 96.4 m-70 -145.1 62.43 1.3 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.325 -0.86 . . . . 0.0 108.942 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -65.91 -42.69 89.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.484 -0.76 . . . . 0.0 109.506 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 8' ' ' HIS . 30.4 p-80 -141.78 119.71 11.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.346 -0.846 . . . . 0.0 109.623 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.441 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 33.2 t -167.38 85.54 0.24 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.22 -0.925 . . . . 0.0 108.754 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 9' ' ' SER . 98.9 m-70 -155.35 -160.34 1.03 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.12 -0.988 . . . . 0.0 109.787 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.83 160.34 6.89 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -65.53 -81.01 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.597 -0.943 . . . . 0.0 109.695 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 t -75.65 147.98 39.07 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.308 -0.87 . . . . 0.0 110.485 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.504 ' OD1' ' NZ ' ' A' ' 36' ' ' LYS . 31.2 t70 -171.46 44.48 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -129.06 147.02 50.88 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.506 -0.746 . . . . 0.0 109.243 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.9 pt -137.68 154.42 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.306 -0.871 . . . . 0.0 109.33 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -112.04 129.85 56.07 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.482 -0.761 . . . . 0.0 109.329 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 m -140.96 163.82 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.214 -0.929 . . . . 0.0 109.144 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -98.35 144.37 27.81 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.356 -0.84 . . . . 0.0 109.029 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.3 t -122.18 133.3 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.408 -0.807 . . . . 0.0 108.99 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.3 t -134.05 152.75 51.97 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -135.47 145.0 46.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.35 -0.844 . . . . 0.0 109.98 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.7 m -60.8 -41.32 95.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.542 -0.724 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -93.26 148.8 21.72 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.979 -1.075 . . . . 0.0 110.463 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 58.7 t-20 61.23 141.87 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.6 0.714 . . . . 0.0 110.246 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 94.8 m-20 -82.47 10.6 6.89 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.87 108.3 0.84 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.886 . . . . 0.0 109.717 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.4 t -126.01 134.03 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 121.429 -0.795 . . . . 0.0 109.132 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.81 145.8 28.67 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.437 -0.79 . . . . 0.0 108.904 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' GLU . 92.3 m-85 -113.18 140.09 48.22 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.409 -0.807 . . . . 0.0 110.198 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' PHE . 71.7 mm-40 36.7 73.36 0.09 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.36 0.6 . . . . 0.0 110.724 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 32' ' ' VAL . 3.7 m -86.86 123.77 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.163 -0.961 . . . . 0.0 109.642 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -81.52 117.31 21.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.068 -1.02 . . . . 0.0 109.591 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -137.52 137.33 38.51 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.146 -0.971 . . . . 0.0 109.452 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.44 141.9 50.26 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.438 -0.789 . . . . 0.0 109.963 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' NZ ' ' OD1' ' A' ' 14' ' ' ASP . 7.9 mtmp? -73.78 -13.72 60.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.826 . . . . 0.0 109.877 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -78.48 -1.32 33.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.325 -0.859 . . . . 0.0 109.405 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.67 142.6 35.39 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.193 -0.942 . . . . 0.0 110.138 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 p -86.93 169.39 12.53 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.253 -0.904 . . . . 0.0 109.587 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.36 -43.13 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.285 -0.884 . . . . 0.0 109.219 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.44 -40.85 79.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.08 -1.013 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -64.92 -39.48 93.58 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.341 -0.849 . . . . 0.0 109.276 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.9 -41.3 99.39 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.351 -0.843 . . . . 0.0 109.413 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.03 -38.8 87.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.148 -0.97 . . . . 0.0 109.473 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.9 m -60.09 -47.51 85.59 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.188 -0.945 . . . . 0.0 109.899 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.18 -42.14 96.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.947 -1.096 . . . . 0.0 109.318 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.41 -38.66 92.0 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.278 -0.889 . . . . 0.0 108.77 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' GLY . 84.6 tt0 -53.98 -44.64 70.99 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.35 -0.843 . . . . 0.0 109.115 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 31.8 mm -67.79 -44.01 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.057 -1.027 . . . . 0.0 109.921 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.94 -43.49 87.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.075 -1.016 . . . . 0.0 111.227 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.5 p -93.52 -14.97 25.98 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.864 -1.147 . . . . 0.0 109.912 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.18 0.43 7.56 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.8 -174.44 29.72 Favored Glycine 0 N--CA 1.494 2.559 0 O-C-N 121.417 -1.049 . . . . 0.0 110.876 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -95.69 124.46 39.72 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.556 -0.967 . . . . 0.0 109.538 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.08 -13.69 61.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.277 -0.889 . . . . 0.0 110.098 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.12 -5.42 76.14 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 57' ' ' THR . 0.1 OUTLIER -140.46 7.63 2.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.249 -1.147 . . . . 0.0 108.814 179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.1 ttm -77.96 136.15 37.94 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.034 -1.042 . . . . 0.0 109.938 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -116.77 145.78 43.27 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.643 -0.661 . . . . 0.0 109.358 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 51.0 t -117.76 133.23 65.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -133.03 139.15 47.06 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.235 -0.915 . . . . 0.0 109.619 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.3 t -95.96 131.46 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.861 . . . . 0.0 109.212 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.516 ' HE1' ' HG ' ' A' ' 68' ' ' CYS . 39.1 m-85 -129.46 141.16 51.08 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.483 -0.76 . . . . 0.0 109.297 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -130.32 82.06 2.04 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.65 -98.38 2.38 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -130.67 30.68 4.63 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.433 -1.039 . . . . 0.0 109.134 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.9 t -144.39 153.79 42.32 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.091 -1.005 . . . . 0.0 109.917 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.516 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 3.6 m -93.06 134.34 35.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.372 -0.83 . . . . 0.0 109.632 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 t -91.2 -51.67 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 109.364 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.2 t -172.75 164.66 5.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.194 -0.941 . . . . 0.0 109.64 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.4 m -113.11 128.45 56.49 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.545 -0.722 . . . . 0.0 109.056 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.4 mtt -71.7 81.48 0.85 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 109.929 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 73' ' ' ASP . 39.4 p-10 -95.48 -18.64 20.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.158 -0.963 . . . . 0.0 109.518 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 52.2 t-20 -90.28 111.09 22.16 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.062 -1.024 . . . . 0.0 110.174 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.95 -26.79 62.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.279 -0.888 . . . . 0.0 109.85 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.436 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 93.1 m-20 -81.14 -2.26 47.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.163 -0.96 . . . . 0.0 109.535 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.78 155.47 23.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.134 -0.979 . . . . 0.0 109.977 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -89.81 163.7 14.94 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.381 -0.824 . . . . 0.0 110.232 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.7 tp -62.98 -42.48 99.85 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.489 -0.757 . . . . 0.0 109.644 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.21 -1.61 50.58 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -62.63 -44.66 95.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.235 -1.156 . . . . 0.0 109.44 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -105.95 -32.11 8.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.327 -0.858 . . . . 0.0 109.636 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -104.36 80.35 1.69 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.367 -0.833 . . . . 0.0 109.145 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -95.08 5.81 50.83 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.242 -0.911 . . . . 0.0 108.897 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 90.6 p -137.03 153.36 50.65 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.349 -0.845 . . . . 0.0 110.069 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.39 168.84 13.45 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.389 -0.819 . . . . 0.0 110.376 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.32 -2.04 84.79 Favored Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.46 154.78 36.82 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.353 -1.087 . . . . 0.0 109.556 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -120.22 126.01 49.57 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -102.31 133.86 46.54 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.336 -0.852 . . . . 0.0 109.022 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -115.62 123.47 48.48 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.485 -0.76 . . . . 0.0 109.119 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.6 t -98.84 131.81 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.385 -0.822 . . . . 0.0 108.9 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -118.92 124.55 73.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.443 -0.786 . . . . 0.0 109.02 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' O ' ' OG ' ' A' ' 95' ' ' SER . 97.6 m-20 -118.65 140.72 49.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.58 -0.7 . . . . 0.0 109.69 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 94' ' ' ASP . 4.8 p . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.772 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.523 0.678 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' HIS . . . -78.79 39.53 2.0 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 2' ' ' GLY . 83.7 t60 58.66 125.54 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.695 -0.885 . . . . 0.0 110.709 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -70.91 140.52 51.03 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 121.623 0.725 . . . . 0.0 110.445 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -160.17 89.85 0.87 Allowed 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -105.02 139.31 39.9 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.49 -0.757 . . . . 0.0 109.878 -179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -74.42 101.64 4.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.503 -0.748 . . . . 0.0 109.889 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 73.0 m80 41.7 80.91 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 CA-C-O 121.795 0.807 . . . . 0.0 109.958 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 11' ' ' GLY . 68.2 m -61.95 -41.9 98.5 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.572 0.701 . . . . 0.0 109.31 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 10' ' ' HIS . 59.6 t-80 51.42 9.35 0.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.422 -0.799 . . . . 0.0 109.284 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 9' ' ' SER . . . -100.29 -59.43 0.84 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -75.35 144.73 42.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.166 -1.197 . . . . 0.0 110.953 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.546 ' OG ' ' N ' ' A' ' 14' ' ' ASP . 64.6 p -166.3 -118.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.546 ' N ' ' OG ' ' A' ' 13' ' ' SER . 99.6 m-20 57.72 51.2 9.64 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.683 -0.635 . . . . 0.0 109.653 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.601 ' CD1' ' NZ ' ' A' ' 33' ' ' LYS . 49.1 m-85 -127.25 140.49 52.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.645 -0.659 . . . . 0.0 109.883 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.6 pt -128.58 153.88 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -115.83 119.74 36.98 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 121.642 0.734 . . . . 0.0 109.219 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.17 164.72 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.486 -0.759 . . . . 0.0 109.423 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -93.41 144.19 25.57 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.425 -0.797 . . . . 0.0 109.516 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.8 t -123.2 133.22 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 CA-C-O 121.481 0.658 . . . . 0.0 109.347 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.0 p -139.12 163.99 30.97 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -147.99 163.64 36.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.201 -0.937 . . . . 0.0 109.82 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -68.52 147.18 52.36 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.542 -0.723 . . . . 0.0 110.319 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 25' ' ' ASN . 59.8 m80 58.93 172.8 0.07 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.438 0.637 . . . . 0.0 110.338 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' HIS . 98.9 m-20 57.95 147.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.635 0.731 . . . . 0.0 110.636 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -94.95 2.8 55.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.331 -0.855 . . . . 0.0 108.827 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 107.18 0.6 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.313 -0.867 . . . . 0.0 109.662 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -130.47 134.17 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.511 -0.743 . . . . 0.0 109.739 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.63 153.48 22.83 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.609 -0.682 . . . . 0.0 109.182 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -128.38 151.03 49.82 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.76 0.791 . . . . 0.0 110.619 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 41.29 60.9 1.94 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.294 0.568 . . . . 0.0 110.78 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 32' ' ' VAL . 3.3 m -78.1 127.72 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 121.037 -1.039 . . . . 0.0 109.625 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.601 ' NZ ' ' CD1' ' A' ' 15' ' ' PHE . 65.2 tttm -88.78 116.39 27.01 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.249 -0.907 . . . . 0.0 110.08 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.9 mt -134.94 135.57 41.6 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.54 -0.725 . . . . 0.0 109.351 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 143.77 52.77 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.726 0.774 . . . . 0.0 109.987 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -66.63 -30.25 70.48 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.666 -0.646 . . . . 0.0 109.799 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -70.96 -0.67 9.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.593 -0.692 . . . . 0.0 109.962 -178.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.9 mt -75.74 136.89 40.31 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.036 -1.04 . . . . 0.0 109.957 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.7 p -86.44 167.89 14.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.461 -0.774 . . . . 0.0 110.279 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.24 -43.86 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.647 -0.658 . . . . 0.0 109.913 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.57 95.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.08 -1.012 . . . . 0.0 109.362 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -64.71 -37.91 89.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 0.0 109.212 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.441 HD22 HD13 ' A' ' 79' ' ' LEU . 55.2 tp -63.16 -40.17 96.76 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.324 -0.86 . . . . 0.0 109.423 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.17 -38.81 90.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.304 -0.873 . . . . 0.0 109.642 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -60.05 -45.51 92.63 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.143 -0.973 . . . . 0.0 109.066 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.25 -43.2 98.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.866 . . . . 0.0 109.024 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.12 -38.84 91.93 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.476 -0.765 . . . . 0.0 109.382 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 52' ' ' GLY . 83.6 tt0 -53.43 -47.68 69.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.929 . . . . 0.0 109.429 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.43 -43.66 90.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.135 -0.978 . . . . 0.0 109.068 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.6 -42.11 98.27 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.499 -0.75 . . . . 0.0 110.292 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.512 ' C ' ' H ' ' A' ' 53' ' ' GLY . 59.0 p -92.18 -16.72 25.87 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 109.285 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.89 -8.77 0.81 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -75.4 -173.1 32.74 Favored Glycine 0 N--CA 1.492 2.413 0 O-C-N 121.278 -1.131 . . . . 0.0 110.915 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.5 t -87.64 126.07 34.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.492 -1.005 . . . . 0.0 109.957 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.69 85.19 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.535 0.683 . . . . 0.0 109.842 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.55 97.38 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 57' ' ' THR . 91.1 m -91.6 -2.18 57.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.019 -1.283 . . . . 0.0 109.215 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 39.8 ttm -81.98 142.47 32.37 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.352 -0.843 . . . . 0.0 109.752 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -128.08 143.35 51.06 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.594 -0.691 . . . . 0.0 109.15 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.541 HG11 ' SD ' ' A' ' 72' ' ' MET . 56.0 t -113.09 133.55 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 109.474 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -133.45 151.19 51.76 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.617 -0.677 . . . . 0.0 109.197 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.3 t -102.85 127.63 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.605 -0.685 . . . . 0.0 109.34 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -134.97 147.28 49.7 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.563 0.697 . . . . 0.0 109.65 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -133.0 80.41 1.89 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.08 -93.21 1.87 Allowed Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 66' ' ' ASP . 59.0 t0 -136.28 18.91 3.16 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.382 -1.069 . . . . 0.0 108.8 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 77.3 m -124.23 132.14 53.57 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 121.702 0.763 . . . . 0.0 110.266 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.1 t -80.56 134.04 35.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.602 -0.686 . . . . 0.0 110.365 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.8 t -98.2 -61.97 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.427 -0.796 . . . . 0.0 109.257 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.0 p -168.33 163.78 12.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.733 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.1 m -111.72 127.15 55.69 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.529 -0.732 . . . . 0.0 109.752 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.541 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.9 mtt -64.08 82.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.608 0.718 . . . . 0.0 110.385 -179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.9 t0 -96.98 -24.78 15.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.426 -0.796 . . . . 0.0 109.114 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -85.14 105.5 15.9 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.198 -0.939 . . . . 0.0 110.48 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -68.02 -32.91 73.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.582 -0.699 . . . . 0.0 109.22 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -74.26 -2.58 25.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.555 -0.716 . . . . 0.0 109.542 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.46 153.15 22.09 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.23 -0.919 . . . . 0.0 110.719 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -85.97 161.35 19.04 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.634 0.73 . . . . 0.0 110.664 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.441 HD13 HD22 ' A' ' 43' ' ' LEU . 38.6 tp -64.31 -42.43 96.34 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.534 -0.729 . . . . 0.0 109.535 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.93 -4.47 58.89 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -63.01 -45.77 90.8 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.474 -1.015 . . . . 0.0 109.533 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -104.87 -28.66 10.99 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.42 -0.8 . . . . 0.0 109.321 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.32 68.46 0.81 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.399 -0.813 . . . . 0.0 109.132 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -91.37 5.2 50.23 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.404 -0.81 . . . . 0.0 109.142 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 71.5 m -136.19 147.24 47.57 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.338 -0.851 . . . . 0.0 109.784 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -85.93 170.15 12.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.576 -0.702 . . . . 0.0 110.374 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.29 -3.28 86.73 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.32 159.56 30.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.21 -1.171 . . . . 0.0 110.146 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -122.37 127.41 49.71 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 121.588 0.708 . . . . 0.0 109.229 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -104.84 136.95 43.38 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.628 -0.67 . . . . 0.0 109.194 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -118.91 131.76 56.06 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.669 -0.645 . . . . 0.0 109.483 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.7 t -106.14 130.66 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.7 t -111.67 113.22 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -127.86 107.31 9.76 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.658 -0.651 . . . . 0.0 109.543 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.115 -0.945 . . . . 0.0 108.871 179.656 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 121.26 0.553 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 4' ' ' HIS . . . 83.59 1.07 90.14 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.7 m80 40.94 -91.31 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.693 -0.887 . . . . 0.0 110.387 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.526 ' N ' ' O ' ' A' ' 2' ' ' GLY . 80.5 m80 -137.92 153.87 49.47 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.399 -0.813 . . . . 0.0 109.576 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -73.33 145.56 45.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.511 -0.743 . . . . 0.0 110.077 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -81.72 -10.7 59.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.413 -0.804 . . . . 0.0 109.138 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -73.47 132.02 42.45 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.405 -0.809 . . . . 0.0 109.805 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.452 ' O ' ' CB ' ' A' ' 9' ' ' SER . 73.4 m80 -77.44 -175.46 3.77 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.378 -0.826 . . . . 0.0 110.518 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 8' ' ' HIS . 2.0 p 74.31 -53.57 0.68 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.597 -0.689 . . . . 0.0 109.56 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.407 ' N ' ' OG ' ' A' ' 9' ' ' SER . 58.5 m170 -61.54 -45.6 93.49 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.128 -0.982 . . . . 0.0 109.615 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.97 142.82 20.14 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -84.18 137.29 33.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.401 -1.058 . . . . 0.0 109.614 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.5 t -112.46 124.06 51.66 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.473 -0.767 . . . . 0.0 108.967 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -127.19 38.39 4.09 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -124.44 150.15 45.99 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 pt -126.27 150.73 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.581 -0.699 . . . . 0.0 109.464 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -95.75 114.23 25.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.449 -0.782 . . . . 0.0 109.159 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.36 163.27 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.466 -0.771 . . . . 0.0 109.613 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -106.16 144.89 32.21 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -122.86 133.33 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.481 -0.762 . . . . 0.0 108.978 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.4 p -142.77 163.09 33.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.292 -0.88 . . . . 0.0 109.492 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -132.95 155.82 48.41 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.329 -0.857 . . . . 0.0 109.634 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.533 ' OG ' ' NE2' ' A' ' 91' ' ' HIS . 40.4 m -84.61 -75.02 0.36 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.477 -0.765 . . . . 0.0 109.601 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -63.46 -44.31 94.86 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.261 -0.9 . . . . 0.0 109.72 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -79.07 155.65 28.69 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.965 . . . . 0.0 109.847 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -108.27 19.01 20.42 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.89 112.8 17.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.126 -0.984 . . . . 0.0 108.986 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 72.1 t -126.12 131.56 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.542 -0.724 . . . . 0.0 109.238 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.25 130.27 56.86 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' GLU . 96.0 m-85 -99.85 145.12 28.11 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.396 -0.815 . . . . 0.0 110.485 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 30' ' ' PHE . 6.6 mt-10 38.69 61.36 1.21 Allowed 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.264 0.554 . . . . 0.0 109.99 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.7 p -94.25 129.99 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.092 -1.005 . . . . 0.0 109.64 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -83.61 130.44 34.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 0.0 110.037 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.2 mt -135.79 131.74 35.84 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.05 132.97 48.96 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.277 -0.89 . . . . 0.0 109.607 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -75.55 -14.98 60.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.566 -0.709 . . . . 0.0 109.462 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.14 -2.8 49.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.42 -0.8 . . . . 0.0 109.833 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.3 mt -78.93 145.79 33.85 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 110.17 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 p -84.45 169.11 14.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.403 -0.81 . . . . 0.0 110.107 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.51 HG12 ' HZ2' ' A' ' 44' ' ' LYS . 48.1 t -61.67 -44.92 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.464 -0.773 . . . . 0.0 109.349 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.46 -39.71 80.67 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.273 -0.892 . . . . 0.0 109.146 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -65.07 -38.59 91.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.23 -0.919 . . . . 0.0 109.18 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.39 -42.08 99.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.329 -0.857 . . . . 0.0 109.547 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.51 ' HZ2' HG12 ' A' ' 40' ' ' VAL . 60.2 mttp -61.17 -39.49 90.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.132 -0.98 . . . . 0.0 109.633 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.0 m -60.01 -47.03 87.53 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.115 -0.991 . . . . 0.0 109.036 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -63.25 -43.13 98.9 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.266 -0.896 . . . . 0.0 109.173 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.41 -38.6 91.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.326 -0.859 . . . . 0.0 109.128 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 52' ' ' GLY . 47.1 tp10 -53.57 -45.67 70.0 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.506 -0.746 . . . . 0.0 109.541 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.9 mm -64.82 -47.14 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.024 -1.048 . . . . 0.0 109.91 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.71 -42.22 86.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.275 -0.891 . . . . 0.0 110.98 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.9 p -87.31 -33.44 19.21 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.886 -1.134 . . . . 0.0 109.867 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 71.92 6.55 64.09 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.465 ' O ' ' OE2' ' A' ' 48' ' ' GLU . . . -77.83 -128.18 0.42 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.458 ' O ' ' SD ' ' A' ' 58' ' ' MET . 8.4 t -135.81 123.82 22.83 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.485 -1.009 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.07 -39.48 82.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 110.172 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.96 -43.94 70.53 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 120.163 -1.017 . . . . 0.0 110.905 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.3 m -86.09 -1.79 57.72 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.818 -1.401 . . . . 0.0 110.145 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.458 ' SD ' ' O ' ' A' ' 54' ' ' CYS . 24.1 mtp -86.2 146.64 26.47 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.212 -0.93 . . . . 0.0 110.357 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -132.19 117.81 18.73 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.7 t -101.74 133.58 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.45 140.99 49.72 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.584 -0.698 . . . . 0.0 109.233 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.6 t -91.18 132.09 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.41 -0.806 . . . . 0.0 109.389 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -128.65 145.81 51.05 Favored 'General case' 0 N--CA 1.498 1.931 0 CA-C-O 121.905 0.859 . . . . 0.0 109.977 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -143.47 90.9 2.2 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.54 -129.06 13.6 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.2 p30 -97.03 10.59 38.84 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.237 -1.154 . . . . 0.0 110.201 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.1 m -125.35 130.84 52.74 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.354 -0.841 . . . . 0.0 109.639 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.9 p -86.67 123.86 32.31 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.332 -0.855 . . . . 0.0 109.557 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' SER . 69.4 t -64.46 -46.3 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.188 -0.945 . . . . 0.0 109.658 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.3 m 163.9 171.85 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.487 -0.758 . . . . 0.0 109.068 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.6 m -108.93 135.75 49.61 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.462 -0.774 . . . . 0.0 109.207 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.3 mtt -75.72 124.1 26.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.35 -0.844 . . . . 0.0 109.53 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -140.12 -27.95 0.74 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.544 -0.722 . . . . 0.0 109.976 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -87.91 110.34 20.47 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.091 -1.006 . . . . 0.0 110.317 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 54.4 t-20 -64.98 -36.17 83.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.457 -0.777 . . . . 0.0 109.443 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.92 -1.01 1.75 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.254 -0.904 . . . . 0.0 109.636 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.97 148.73 21.76 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.225 -0.922 . . . . 0.0 109.589 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -89.13 161.36 16.54 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.314 -0.866 . . . . 0.0 110.188 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.35 -41.86 98.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.445 -0.785 . . . . 0.0 109.524 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.12 -4.62 56.45 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -62.11 -45.77 92.02 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.247 -1.149 . . . . 0.0 109.124 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -105.09 -28.59 10.93 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.47 -0.769 . . . . 0.0 109.591 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.63 72.9 0.93 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.454 -0.779 . . . . 0.0 109.455 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.5 p30 -101.84 12.13 37.52 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.4 -0.812 . . . . 0.0 109.386 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.1 t -138.12 147.45 43.97 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.453 -0.779 . . . . 0.0 109.514 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -82.58 166.54 19.15 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.36 -0.838 . . . . 0.0 110.132 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.88 -1.98 83.81 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.5 mt -76.93 155.58 32.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.309 -1.112 . . . . 0.0 109.489 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -123.07 134.18 54.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.564 -0.71 . . . . 0.0 109.449 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.4 mt -105.28 127.62 53.04 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.533 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 79.3 t60 -114.06 117.82 32.35 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.618 -0.676 . . . . 0.0 109.64 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.2 t -87.19 124.42 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 72.8 t -111.13 109.95 30.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.587 -0.696 . . . . 0.0 109.188 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -99.49 112.58 24.76 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.539 -0.726 . . . . 0.0 109.489 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.488 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.547 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 37.3 ttm . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.92 4.66 89.92 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.547 ' ND1' ' N ' ' A' ' 1' ' ' MET . 26.3 p-80 -88.84 -11.48 44.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.443 -1.033 . . . . 0.0 109.411 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.426 ' CE1' ' CE1' ' A' ' 3' ' ' HIS . 74.3 m80 -67.12 137.74 56.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.354 -0.841 . . . . 0.0 109.779 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -88.6 142.81 27.39 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.411 -0.806 . . . . 0.0 109.771 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -119.6 125.96 50.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.639 -0.663 . . . . 0.0 109.501 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -81.04 137.16 36.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.354 -0.842 . . . . 0.0 109.854 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -87.26 68.14 9.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.39 -0.819 . . . . 0.0 109.389 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.2 p -86.46 -5.38 59.17 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.445 -0.785 . . . . 0.0 109.442 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -73.04 151.32 41.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.344 -0.847 . . . . 0.0 109.96 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.16 -98.2 2.35 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -73.79 148.2 42.72 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.362 -1.081 . . . . 0.0 110.482 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 m 53.01 102.59 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.677 -0.639 . . . . 0.0 109.945 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -87.57 88.56 7.7 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.473 -0.767 . . . . 0.0 109.752 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -141.08 146.88 37.7 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.439 -0.788 . . . . 0.0 109.485 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.0 pt -138.04 160.73 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.469 -0.769 . . . . 0.0 109.485 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -109.58 122.23 46.97 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -136.87 161.91 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.443 -0.785 . . . . 0.0 109.289 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -102.7 144.77 30.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.685 . . . . 0.0 109.433 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.9 t -121.23 131.42 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.8 t -135.47 149.42 49.55 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.516 HD22 HG22 ' A' ' 51' ' ' THR . 40.0 p30 -133.85 151.88 51.68 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.279 -0.888 . . . . 0.0 109.565 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 25' ' ' ASN . 16.8 p -77.22 168.85 19.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.629 -0.669 . . . . 0.0 110.116 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.9 m80 57.91 -70.79 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 121.205 0.526 . . . . 0.0 110.587 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' A' ' 23' ' ' SER . 99.8 m-20 -62.04 143.44 56.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.276 -0.89 . . . . 0.0 110.47 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -94.11 3.81 54.77 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.483 -0.761 . . . . 0.0 109.05 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.32 116.3 12.59 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -0.779 . . . . 0.0 109.768 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.24 133.55 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.47 137.69 44.01 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -114.0 147.11 39.18 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.493 -0.755 . . . . 0.0 110.816 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 43.7 68.56 0.51 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.719 -0.613 . . . . 0.0 110.778 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.508 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.1 p -94.91 123.41 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -83.79 118.18 23.76 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.155 -0.965 . . . . 0.0 109.83 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.2 mt -135.23 134.31 39.91 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.531 -0.731 . . . . 0.0 109.222 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 141.35 53.27 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.42 -0.8 . . . . 0.0 109.653 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -70.8 -14.7 62.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.47 -0.769 . . . . 0.0 109.929 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -80.87 -0.36 38.68 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.487 -0.758 . . . . 0.0 109.944 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -77.42 143.73 38.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.173 -0.954 . . . . 0.0 109.997 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.6 p -86.15 165.47 16.54 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.615 0.722 . . . . 0.0 110.161 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.86 -43.78 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.679 -0.638 . . . . 0.0 109.35 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.63 89.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.469 -0.77 . . . . 0.0 109.506 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -64.11 -37.21 86.61 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.321 -0.862 . . . . 0.0 109.093 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.3 tp -62.27 -41.06 98.15 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.48 -37.65 81.71 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.407 -0.808 . . . . 0.0 109.261 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.5 m -59.62 -47.71 84.53 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.341 -0.849 . . . . 0.0 109.284 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.88 -43.41 98.87 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.426 -0.796 . . . . 0.0 109.065 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.18 -39.6 94.34 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.1 tt0 -50.79 -49.58 58.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.392 -0.817 . . . . 0.0 109.011 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.39 -43.31 94.8 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 O-C-N 121.362 -0.836 . . . . 0.0 109.845 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -62.49 -45.26 93.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.379 -0.826 . . . . 0.0 110.253 -178.571 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.516 HG22 HD22 ' A' ' 22' ' ' ASN . 34.2 p -93.78 -14.33 26.34 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.84 -1.162 . . . . 0.0 109.648 -179.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 65.62 -6.37 1.34 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -72.48 -178.32 32.61 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.6 t -86.71 126.17 34.38 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.556 -0.967 . . . . 0.0 110.008 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.39 -35.68 81.69 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.534 -0.729 . . . . 0.0 109.989 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.16 -35.23 91.22 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.061 -1.216 . . . . 0.0 110.061 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.3 p -97.76 1.05 47.99 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.201 -1.176 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.0 ttm -81.71 141.16 33.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.403 -0.81 . . . . 0.0 109.909 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -125.01 144.08 50.57 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.469 HG11 ' SD ' ' A' ' 72' ' ' MET . 52.0 t -115.39 131.41 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -131.98 130.01 40.91 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.23 133.3 30.21 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 109.514 -179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -126.66 137.02 53.23 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.526 0.679 . . . . 0.0 109.331 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -131.35 89.6 2.74 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.64 -108.41 3.6 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -121.69 -4.54 9.21 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.67 -0.9 . . . . 0.0 109.981 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.3 m -121.69 140.2 52.6 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.527 -0.733 . . . . 0.0 110.564 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.8 p -75.02 147.06 41.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.74 -0.6 . . . . 0.0 109.442 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 ' N ' ' A' ' 70' ' ' SER . 35.0 m -106.87 -45.3 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.531 -0.731 . . . . 0.0 109.729 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.546 ' N ' HG23 ' A' ' 69' ' ' VAL . 92.0 p -162.79 162.54 26.65 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.138 -0.976 . . . . 0.0 109.824 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ASP . 90.3 m -117.2 130.4 56.56 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.469 ' SD ' HG11 ' A' ' 60' ' ' VAL . 67.1 mtt -62.7 69.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.44 -0.787 . . . . 0.0 110.403 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' THR . 99.7 m-20 -64.66 -39.4 93.62 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.495 -0.753 . . . . 0.0 109.633 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -86.08 112.35 21.19 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.426 -0.796 . . . . 0.0 109.888 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 55.4 p30 -74.73 -14.15 60.69 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.422 -0.799 . . . . 0.0 109.689 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 94.7 m-20 -89.31 -1.97 58.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.354 -0.841 . . . . 0.0 109.534 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.63 156.16 32.91 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.327 -0.858 . . . . 0.0 110.033 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -85.64 162.14 18.95 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.56 -0.712 . . . . 0.0 110.287 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.1 -42.36 99.57 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.647 -0.658 . . . . 0.0 109.948 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.24 -5.03 75.44 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -62.86 -44.33 96.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.19 -1.182 . . . . 0.0 109.205 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -101.85 -45.54 5.18 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.403 -0.811 . . . . 0.0 109.792 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.89 86.44 5.47 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.292 -0.88 . . . . 0.0 109.24 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.533 ' N ' ' OD1' ' A' ' 84' ' ' ASN . 0.8 OUTLIER -102.15 8.58 40.63 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.5 t -135.98 146.92 47.75 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.465 -0.772 . . . . 0.0 109.353 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -81.14 166.81 20.33 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.495 -0.753 . . . . 0.0 110.611 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.56 -8.13 80.28 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 76.0 mt -78.06 158.59 29.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.461 -1.023 . . . . 0.0 109.679 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -130.66 143.89 51.05 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -107.72 126.12 52.22 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.549 -0.719 . . . . 0.0 109.285 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -98.08 128.09 44.4 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.468 -0.77 . . . . 0.0 109.366 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.0 t -104.4 131.06 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.487 -0.758 . . . . 0.0 108.991 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.8 t -115.16 130.08 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.606 -0.684 . . . . 0.0 109.22 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -126.15 108.05 10.96 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 121.392 0.615 . . . . 0.0 109.553 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.169 179.687 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.251 0.548 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.22 7.62 1.47 Allowed Glycine 0 N--CA 1.495 2.579 0 N-CA-C 108.728 -1.749 . . . . 0.0 108.728 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -79.84 128.98 34.09 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.455 -1.026 . . . . 0.0 110.299 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -91.71 6.02 47.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.447 -0.783 . . . . 0.0 109.031 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 72.4 m80 41.56 -134.42 0.31 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.632 -0.668 . . . . 0.0 110.476 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -152.38 166.74 30.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.333 -0.854 . . . . 0.0 109.649 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 8' ' ' HIS . 82.6 t60 -53.78 149.04 9.08 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.885 . . . . 0.0 110.437 -178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.464 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 43.5 m80 -67.51 136.61 54.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.581 -0.7 . . . . 0.0 110.051 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.456 ' C ' ' H ' ' A' ' 11' ' ' GLY . 68.3 m -147.08 98.42 3.03 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.268 -0.895 . . . . 0.0 109.014 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 82.7 t60 51.87 9.46 0.08 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.26 -0.9 . . . . 0.0 109.394 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 9' ' ' SER . . . -83.06 125.11 6.82 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -85.15 133.75 34.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -1.078 . . . . 0.0 109.99 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 m -78.51 154.31 30.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.256 -0.902 . . . . 0.0 110.208 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -75.12 -3.72 34.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.452 -0.78 . . . . 0.0 109.86 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -112.65 144.21 42.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.496 -0.753 . . . . 0.0 109.363 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.3 pt -125.57 155.05 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.526 -0.734 . . . . 0.0 109.585 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -105.4 117.52 34.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.505 -0.747 . . . . 0.0 109.51 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -136.48 163.61 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.44 -0.787 . . . . 0.0 109.096 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -101.39 144.61 29.99 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.526 -0.734 . . . . 0.0 109.287 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.0 t -125.48 135.5 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 121.34 -0.85 . . . . 0.0 109.081 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.8 t -134.55 175.28 9.68 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 27' ' ' ALA . 2.4 p30 -146.64 162.06 39.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.191 -0.943 . . . . 0.0 109.568 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -88.74 -76.72 0.39 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.56 -0.713 . . . . 0.0 110.51 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -60.64 -47.21 87.23 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.336 -0.852 . . . . 0.0 110.362 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 60.2 t-20 -75.41 144.61 42.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 0.0 110.433 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 52.0 t0 -97.3 1.95 50.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.357 -0.839 . . . . 0.0 109.266 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.507 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . -69.79 130.74 43.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.368 -0.833 . . . . 0.0 109.84 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.22 134.61 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.388 -0.82 . . . . 0.0 109.804 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.38 140.26 44.77 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -117.29 146.79 43.09 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.519 -0.738 . . . . 0.0 110.468 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 40.08 67.65 0.46 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.825 -0.547 . . . . 0.0 110.264 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.3 p -100.41 123.87 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.575 -0.703 . . . . 0.0 109.412 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -78.13 131.01 37.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.267 -0.896 . . . . 0.0 110.361 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 98.5 mt -138.86 125.13 20.27 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.371 -0.83 . . . . 0.0 108.94 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.479 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -64.35 138.82 58.62 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.379 -0.826 . . . . 0.0 109.593 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -75.94 -15.03 60.24 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.605 -0.684 . . . . 0.0 109.491 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -80.91 0.31 35.85 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.397 -0.815 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.479 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 88.5 mt -76.58 144.08 39.86 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.261 -0.899 . . . . 0.0 110.655 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.1 p -88.15 164.71 15.55 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.541 -0.724 . . . . 0.0 109.952 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.78 -44.55 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.451 -0.78 . . . . 0.0 110.033 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.48 94.44 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.125 -0.984 . . . . 0.0 109.863 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -65.97 -36.45 83.36 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.328 -0.857 . . . . 0.0 109.164 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.64 -41.57 99.11 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.489 -0.757 . . . . 0.0 109.263 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.18 -40.31 95.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.397 -0.815 . . . . 0.0 109.803 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.8 m -61.04 -46.41 90.8 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.132 -0.98 . . . . 0.0 109.885 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -62.92 -46.75 86.33 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.183 -0.948 . . . . 0.0 109.4 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.71 -38.55 91.38 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.422 -0.799 . . . . 0.0 109.195 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' GLY . 38.2 tt0 -51.15 -51.12 56.65 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.343 -0.848 . . . . 0.0 109.648 -179.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.46 -42.67 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.347 -0.845 . . . . 0.0 110.227 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 50.6 tp -62.44 -41.61 98.85 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.117 -0.99 . . . . 0.0 110.201 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.488 ' C ' ' H ' ' A' ' 53' ' ' GLY . 16.1 p -91.93 -12.6 32.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.984 -1.072 . . . . 0.0 108.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 67.42 -8.48 1.51 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.739 -1.344 . . . . 0.0 109.739 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -71.03 176.4 37.12 Favored Glycine 0 N--CA 1.492 2.378 0 O-C-N 121.345 -1.091 . . . . 0.0 110.553 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.94 126.19 34.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.545 -0.973 . . . . 0.0 109.36 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.91 72.52 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.347 -0.846 . . . . 0.0 110.157 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -65.37 -35.54 91.56 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.6 p -98.72 -10.71 22.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.281 -1.129 . . . . 0.0 109.652 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.2 ttp -86.9 128.77 35.06 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.148 -0.97 . . . . 0.0 109.523 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -113.9 150.6 33.43 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.573 -0.704 . . . . 0.0 109.466 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.1 t -115.23 132.89 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -134.27 147.0 50.57 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.7 132.77 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.272 -0.893 . . . . 0.0 109.423 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -127.02 138.62 53.27 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.777 0.799 . . . . 0.0 109.781 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -141.36 101.34 3.98 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 83.03 -102.4 2.39 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -131.42 -3.6 3.81 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.514 -0.992 . . . . 0.0 109.585 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.0 m -116.41 139.36 50.51 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.571 -0.706 . . . . 0.0 110.59 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.7 t -76.75 120.35 21.8 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.442 -0.786 . . . . 0.0 109.778 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.08 -48.74 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.11 -0.994 . . . . 0.0 109.687 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.6 p -173.77 164.28 4.31 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.414 -0.804 . . . . 0.0 109.412 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.7 m -113.38 126.55 55.48 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.53 -0.732 . . . . 0.0 109.072 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.8 mtt -63.84 83.96 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.238 -0.914 . . . . 0.0 110.056 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 47.4 t0 -95.78 -24.2 16.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.328 -0.857 . . . . 0.0 109.542 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -86.03 112.73 21.51 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.27 -0.894 . . . . 0.0 110.384 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -74.84 -18.86 60.38 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.373 -0.829 . . . . 0.0 109.758 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -91.01 -1.83 57.76 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.231 -0.918 . . . . 0.0 109.322 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.81 152.31 24.69 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.352 -0.842 . . . . 0.0 110.25 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -89.88 159.98 16.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 0.0 109.99 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.03 -42.04 99.68 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.407 -0.808 . . . . 0.0 110.303 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.23 -21.97 68.71 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 120.25 -0.976 . . . . 0.0 111.223 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.62 -49.08 78.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.871 -1.37 . . . . 0.0 110.4 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -83.08 -44.01 15.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.153 -0.967 . . . . 0.0 110.304 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.24 138.84 36.75 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.302 -0.874 . . . . 0.0 109.95 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -155.28 22.6 0.42 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.6 t -151.56 148.65 28.26 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.287 -0.883 . . . . 0.0 109.767 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.1 p30 -84.25 162.2 20.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.256 -0.903 . . . . 0.0 110.232 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.86 -4.1 78.28 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.2 mt -75.29 153.82 37.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.369 -1.077 . . . . 0.0 109.72 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -124.3 129.84 51.46 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.701 -0.625 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.3 mt -104.2 125.37 50.44 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.45 -0.781 . . . . 0.0 109.016 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -100.98 129.27 46.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.334 -0.853 . . . . 0.0 109.341 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.9 t -103.76 128.11 57.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.473 -0.767 . . . . 0.0 109.097 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.0 t -106.25 109.91 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -97.8 110.46 23.02 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.261 -0.9 . . . . 0.0 110.171 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 117.849 -1.072 . . . . 0.0 108.709 179.689 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.2 -71.24 0.18 Allowed Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -143.9 162.91 34.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.262 -1.14 . . . . 0.0 110.07 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -72.59 139.74 47.63 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.6 -0.687 . . . . 0.0 110.381 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -129.49 19.99 5.7 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -66.77 -40.59 88.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.449 -0.782 . . . . 0.0 109.271 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 44.7 80.67 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 121.621 0.724 . . . . 0.0 109.9 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 75.3 m80 48.34 -172.62 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.645 -0.659 . . . . 0.0 110.201 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.1 t -150.62 50.34 0.87 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.372 -0.83 . . . . 0.0 109.036 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -144.06 138.2 28.13 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.318 -0.864 . . . . 0.0 109.508 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.01 138.66 3.85 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -78.27 147.04 34.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.455 -1.027 . . . . 0.0 110.191 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 m -67.94 147.62 52.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.468 -0.77 . . . . 0.0 110.187 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -149.05 102.41 3.25 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 35' ' ' ALA . 88.2 m-85 -126.78 140.89 52.03 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.451 HD11 ' HZ3' ' A' ' 36' ' ' LYS . 41.9 pt -132.25 164.46 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.617 -0.677 . . . . 0.0 109.872 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 52.8 mtmt -101.33 123.92 46.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.551 -0.718 . . . . 0.0 109.787 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -138.89 161.91 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.635 -0.666 . . . . 0.0 109.269 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -101.73 140.65 35.73 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.565 -0.709 . . . . 0.0 109.114 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.0 t -126.31 132.52 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 CA-C-O 121.42 0.628 . . . . 0.0 109.372 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.2 m -130.68 154.74 47.61 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -136.53 140.85 43.28 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.812 0.815 . . . . 0.0 109.84 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 25' ' ' ASN . 29.2 t -72.35 161.73 30.44 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.355 0.598 . . . . 0.0 110.559 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 94' ' ' ASP . 36.2 m-70 65.64 -65.37 0.17 Allowed 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 121.15 0.5 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 23' ' ' SER . 63.7 t-20 -66.2 140.29 58.17 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.278 -0.889 . . . . 0.0 110.37 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 96.1 m-20 -89.5 -3.05 58.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.478 -0.764 . . . . 0.0 109.14 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.86 130.11 40.25 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.254 -0.904 . . . . 0.0 109.227 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.3 t -134.85 134.99 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.434 -0.791 . . . . 0.0 109.524 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.57 146.41 29.67 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.644 -0.66 . . . . 0.0 109.232 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -130.36 150.17 51.71 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.653 0.74 . . . . 0.0 110.42 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 43.28 49.33 5.84 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.358 0.599 . . . . 0.0 110.17 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 32' ' ' VAL . 11.1 p -85.66 122.17 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.278 -0.889 . . . . 0.0 109.271 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -76.71 127.22 32.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.262 -0.899 . . . . 0.0 109.994 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -134.72 133.05 39.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.577 -0.702 . . . . 0.0 109.431 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.527 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -70.72 139.01 51.02 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.713 0.768 . . . . 0.0 110.04 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' HZ3' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -76.75 -16.76 59.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.619 -0.675 . . . . 0.0 109.983 -179.799 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -81.77 -1.62 47.84 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.339 -0.851 . . . . 0.0 109.447 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.527 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 90.4 mt -77.72 144.22 37.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.145 -0.972 . . . . 0.0 110.392 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 p -85.13 170.16 13.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.51 -0.744 . . . . 0.0 110.082 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.06 -43.45 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.94 81.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.376 -0.828 . . . . 0.0 109.522 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -66.24 -39.05 89.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.314 -0.866 . . . . 0.0 109.122 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.7 tp -62.55 -42.4 99.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.467 -0.771 . . . . 0.0 109.429 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.68 -37.71 85.1 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.478 -0.764 . . . . 0.0 109.417 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.0 m -61.04 -46.78 89.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.342 -0.849 . . . . 0.0 109.369 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.27 -43.43 94.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 108.982 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 99.9 mt -64.93 -38.12 89.9 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.563 -0.711 . . . . 0.0 109.099 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 52' ' ' GLY . 42.0 tt0 -54.14 -47.94 71.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.54 -0.725 . . . . 0.0 109.38 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.87 -43.24 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.319 -0.863 . . . . 0.0 109.491 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.7 mt -63.31 -41.4 98.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.498 -0.751 . . . . 0.0 110.36 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.511 ' C ' ' H ' ' A' ' 53' ' ' GLY . 12.1 p -93.81 -14.15 26.5 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.105 -0.997 . . . . 0.0 109.205 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 64.41 -5.21 1.11 Allowed Glycine 0 N--CA 1.493 2.471 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' A' ' 51' ' ' THR . . . -76.77 -174.91 40.45 Favored Glycine 0 N--CA 1.489 2.192 0 O-C-N 121.324 -1.104 . . . . 0.0 110.722 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 t -89.61 127.2 35.87 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.557 -0.967 . . . . 0.0 109.374 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' HB2' ' OE1' ' A' ' 48' ' ' GLU . . . -63.39 -34.37 77.58 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.608 -0.683 . . . . 0.0 109.868 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.97 -36.27 93.06 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.3 p -96.9 -10.35 26.61 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.973 -1.31 . . . . 0.0 109.505 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.0 ttp -86.73 126.94 34.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.195 -0.941 . . . . 0.0 109.934 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -108.58 149.01 29.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.548 -0.72 . . . . 0.0 109.583 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.65 132.32 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -130.77 138.2 49.82 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.5 t -90.51 132.66 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.548 -0.72 . . . . 0.0 109.583 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -124.81 146.55 49.19 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.954 0.883 . . . . 0.0 109.772 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -147.25 99.24 3.12 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.13 -130.77 22.15 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 36.3 p-10 -99.53 10.95 40.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.48 -1.012 . . . . 0.0 109.202 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.6 m -127.27 133.81 50.13 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.549 -0.719 . . . . 0.0 110.02 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.1 m -83.67 128.04 34.23 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.434 -0.791 . . . . 0.0 110.206 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' SER . 93.8 t -66.7 -44.32 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.524 -0.735 . . . . 0.0 109.327 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 1.5 m 164.2 171.61 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.476 -0.765 . . . . 0.0 109.712 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 52.7 m -111.93 130.7 55.75 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 121.459 0.647 . . . . 0.0 109.396 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -66.34 105.74 1.52 Allowed 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 110.253 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -111.96 -29.56 7.59 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -87.88 107.91 18.91 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.309 -0.869 . . . . 0.0 110.023 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.04 -35.09 77.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.695 -0.628 . . . . 0.0 110.002 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -73.45 -1.01 16.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.285 -0.884 . . . . 0.0 110.018 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.02 157.27 20.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.099 -1.001 . . . . 0.0 110.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -86.09 157.97 19.92 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.677 0.751 . . . . 0.0 110.665 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.75 -41.9 99.42 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.702 -0.624 . . . . 0.0 109.689 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.91 -3.66 30.2 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -63.58 -44.09 95.07 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.207 -1.172 . . . . 0.0 109.219 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -104.93 -28.13 11.29 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.61 74.51 1.08 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.604 -0.685 . . . . 0.0 109.332 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -103.44 11.07 36.92 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.2 t -135.78 145.81 46.93 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.493 -0.755 . . . . 0.0 109.848 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 17' ' ' LYS . 29.0 t70 -83.27 158.56 22.2 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.53 0.681 . . . . 0.0 110.782 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.71 9.39 71.78 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.9 mt -79.23 155.33 28.64 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.405 -1.056 . . . . 0.0 110.438 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -120.44 128.64 53.36 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.1 mt -106.21 127.97 53.6 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -105.02 113.46 27.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.619 -0.676 . . . . 0.0 109.327 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.9 t -89.81 129.37 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.374 -0.829 . . . . 0.0 109.23 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.21 102.94 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.65 -0.656 . . . . 0.0 109.506 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.409 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 55.0 t0 -98.95 112.34 24.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.469 -0.769 . . . . 0.0 109.699 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 118.103 -0.951 . . . . 0.0 108.792 179.683 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ptt? . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.98 146.87 42.13 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -67.13 -39.3 86.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.394 -1.062 . . . . 0.0 109.391 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -65.45 -41.46 93.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.871 . . . . 0.0 109.644 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -85.05 128.24 34.55 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.209 -0.932 . . . . 0.0 109.894 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.458 ' ND1' ' O ' ' A' ' 6' ' ' HIS . 56.6 t-80 -149.17 26.07 0.88 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.368 -0.833 . . . . 0.0 109.095 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 8' ' ' HIS . 86.4 t60 -153.25 95.54 1.95 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.325 -0.859 . . . . 0.0 109.183 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 7' ' ' HIS . 76.6 t60 41.53 92.61 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.57 -0.706 . . . . 0.0 109.793 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -64.06 147.81 51.27 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.31 -0.869 . . . . 0.0 110.539 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 55.13 99.93 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.513 -0.742 . . . . 0.0 109.856 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.4 110.68 3.08 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.165 -1.174 . . . . 0.0 110.165 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -64.66 -44.27 90.96 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.397 -1.061 . . . . 0.0 109.513 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.5 m -95.02 95.37 8.56 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.272 -0.892 . . . . 0.0 109.765 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -107.8 19.13 20.5 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.562 -0.711 . . . . 0.0 109.246 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -124.58 159.55 30.43 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.831 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.0 pt -125.1 159.84 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.58 -0.7 . . . . 0.0 109.502 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -95.91 117.99 31.67 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.467 -0.77 . . . . 0.0 109.192 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -141.42 163.72 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.374 -0.829 . . . . 0.0 109.732 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -109.08 148.43 30.84 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.6 t -122.36 131.99 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.339 -0.851 . . . . 0.0 108.971 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.7 m -131.34 158.06 41.7 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.724 HD22 HD21 ' A' ' 25' ' ' ASN . 58.3 t-20 -132.86 132.23 41.87 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.479 -0.763 . . . . 0.0 109.535 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.416 ' N ' ' OD1' ' A' ' 22' ' ' ASN . 11.4 t -62.07 -42.96 99.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.618 -0.676 . . . . 0.0 109.757 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.532 ' ND1' ' OD1' ' A' ' 94' ' ' ASP . 42.2 m80 -74.87 -98.31 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.281 -0.887 . . . . 0.0 110.874 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.724 HD21 HD22 ' A' ' 22' ' ' ASN . 21.1 p30 -55.85 156.71 4.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 110.22 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 34.5 p-10 -89.47 4.74 48.17 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.543 -0.723 . . . . 0.0 109.266 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.23 111.43 0.96 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.279 -0.888 . . . . 0.0 109.154 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.7 t -124.94 132.42 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.547 -0.721 . . . . 0.0 109.29 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.92 136.85 41.99 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -113.07 134.83 54.35 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.517 -0.739 . . . . 0.0 110.123 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 54.4 50.9 15.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.664 -0.647 . . . . 0.0 110.741 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 32' ' ' VAL . 8.5 p -91.82 122.55 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.058 -1.026 . . . . 0.0 108.466 178.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -90.36 137.67 32.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.16 -0.963 . . . . 0.0 110.002 -179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.2 mt -136.45 143.33 43.82 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.434 -0.791 . . . . 0.0 109.406 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.5 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . . . -72.73 132.46 43.67 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.29 -0.881 . . . . 0.0 109.597 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' A' ' 38' ' ' LEU . 54.0 mtmt -65.32 -38.53 90.46 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.4 -0.812 . . . . 0.0 110.22 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -61.33 1.22 0.21 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.473 -0.767 . . . . 0.0 110.269 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.5 ' HG ' ' HB3' ' A' ' 35' ' ' ALA . 98.7 mt -76.88 142.8 40.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.124 -0.985 . . . . 0.0 109.555 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.4 p -84.88 164.14 18.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.357 -0.84 . . . . 0.0 110.114 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.97 -43.8 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.627 -0.67 . . . . 0.0 109.642 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.53 94.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.284 -0.885 . . . . 0.0 109.553 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -65.6 -37.2 85.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.157 -0.965 . . . . 0.0 109.106 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.485 HD22 HD13 ' A' ' 79' ' ' LEU . 47.0 tp -62.24 -42.15 99.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.316 -0.865 . . . . 0.0 109.303 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.19 -39.53 90.55 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.261 -0.899 . . . . 0.0 109.312 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 m -60.76 -46.57 89.93 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.404 -0.81 . . . . 0.0 109.592 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.78 -44.04 94.55 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.223 -0.923 . . . . 0.0 109.241 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.97 -39.8 94.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.323 -0.861 . . . . 0.0 108.933 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 52' ' ' GLY . 81.6 tt0 -49.72 -49.2 48.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.413 -0.804 . . . . 0.0 109.028 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.58 -43.35 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 109.313 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.74 -42.65 99.77 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.347 -0.846 . . . . 0.0 110.366 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.8 p -93.78 -15.08 25.5 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.911 -1.118 . . . . 0.0 109.908 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . 66.25 7.52 39.0 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.82 -162.06 34.67 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.8 t -102.3 128.53 48.81 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.464 -1.021 . . . . 0.0 109.909 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.27 83.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.379 -0.826 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.71 -36.75 93.16 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.324 -1.11 . . . . 0.0 110.324 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.3 p -96.86 6.04 49.41 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.089 -1.242 . . . . 0.0 108.951 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 53.4 ttm -82.18 137.51 34.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.414 -0.804 . . . . 0.0 110.095 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -129.7 143.23 50.72 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.522 HG11 ' SD ' ' A' ' 72' ' ' MET . 50.7 t -115.15 132.35 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -130.06 127.23 39.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.588 -0.695 . . . . 0.0 109.402 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.79 131.6 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.452 -0.78 . . . . 0.0 109.751 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -128.96 144.73 51.27 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 121.554 0.692 . . . . 0.0 109.749 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -146.31 80.72 1.57 Allowed 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.57 -133.38 11.7 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -96.54 5.41 50.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.261 -1.14 . . . . 0.0 109.932 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.7 m -125.34 135.71 52.73 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.452 -0.78 . . . . 0.0 110.037 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.1 t -79.01 132.52 36.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.454 -0.779 . . . . 0.0 109.809 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -74.14 -54.62 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.141 -0.974 . . . . 0.0 109.634 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.1 p -173.64 166.55 4.56 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.362 -0.836 . . . . 0.0 109.437 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 85.9 m -114.13 130.36 56.59 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.522 -0.736 . . . . 0.0 109.25 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.522 ' SD ' HG11 ' A' ' 60' ' ' VAL . 66.2 mtt -70.89 85.88 0.69 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 0.0 109.657 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 66.6 t0 -94.5 -23.48 17.68 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.475 -0.766 . . . . 0.0 109.628 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 77' ' ' ALA . 25.0 t-20 -91.87 106.74 18.7 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.147 -0.971 . . . . 0.0 110.211 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -69.5 -25.23 63.95 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.339 -0.85 . . . . 0.0 109.308 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -79.07 -2.61 41.33 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.41 -0.806 . . . . 0.0 109.793 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 74' ' ' ASN . . . -87.01 155.64 20.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.202 -0.937 . . . . 0.0 109.996 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -83.06 160.42 21.94 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.288 -0.882 . . . . 0.0 110.088 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.485 HD13 HD22 ' A' ' 43' ' ' LEU . 42.1 tp -62.66 -43.12 99.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.369 -0.832 . . . . 0.0 109.513 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.49 -3.49 58.27 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -61.77 -44.64 96.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.207 -1.172 . . . . 0.0 109.06 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -103.79 -27.09 12.45 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.427 -0.796 . . . . 0.0 109.265 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.84 96.46 9.35 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.351 -0.843 . . . . 0.0 109.635 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -134.37 68.73 1.47 Allowed 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.4 t -172.69 -129.78 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 50.2 p-10 -172.74 142.66 1.19 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.247 -0.908 . . . . 0.0 109.507 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.54 15.76 67.77 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.09 155.75 36.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.294 -1.121 . . . . 0.0 109.696 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -115.01 124.57 51.99 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.0 mt -106.06 129.52 54.15 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.555 -0.716 . . . . 0.0 109.083 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -110.28 121.36 45.09 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 74.9 t -94.95 131.55 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.44 -0.788 . . . . 0.0 108.977 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.6 t -125.12 116.35 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.627 -0.67 . . . . 0.0 109.232 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.532 ' OD1' ' ND1' ' A' ' 24' ' ' HIS . 41.4 p-10 -109.55 129.4 55.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.571 -0.706 . . . . 0.0 109.433 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.477 -179.916 . . . . . . . . 0 0 . 1 stop_ save_