data_2kna_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 2kna _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 ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.5 m -69.84 -25.26 63.66 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.825 -1.172 . . . . 0.0 112.726 174.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.13 -49.25 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.118 0.967 . . . . 0.0 110.5 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -72.81 -44.35 61.59 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -70.74 -19.37 62.74 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -174.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -131.76 96.21 21.17 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 124.535 1.134 . . . . 0.0 111.926 -171.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.32 -13.96 39.03 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 123.681 2.921 . . . . 0.0 115.192 -166.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.9 mtp -57.64 -24.74 58.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.525 1.13 . . . . 0.0 112.939 171.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.14 -56.36 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 123.834 0.854 . . . . 0.0 111.248 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.24 -37.4 74.84 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -61.59 -38.67 88.43 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.204 1.002 . . . . 0.0 112.731 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.86 -52.89 61.36 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.61 -0.681 . . . . 0.0 112.059 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.57 -41.34 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.503 1.047 . . . . 0.0 111.596 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.72 -26.69 57.61 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.819 1.247 . . . . 0.0 114.227 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.8 mtm -78.33 -10.29 59.61 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.34 -2.39 14.14 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.872 1.701 . . . . 0.0 115.436 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -67.95 163.09 22.91 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.219 1.51 . . . . 0.0 112.755 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 m -88.55 143.18 27.12 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.219 1.408 . . . . 0.0 112.057 176.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -53.47 -46.14 69.84 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.962 0.905 . . . . 0.0 113.098 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -45.67 70.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.638 1.575 . . . . 0.0 112.327 176.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -43.19 99.31 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.48 0.712 . . . . 0.0 111.629 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.75 -49.03 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 118.022 0.374 . . . . 0.0 111.718 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -38.76 77.67 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.102 0.865 . . . . 0.0 111.746 175.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -50.75 66.26 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.275 1.03 . . . . 0.0 111.71 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 tt -66.56 -37.57 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 118.331 0.514 . . . . 0.0 112.018 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 mmt -60.58 -59.03 6.05 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.948 0.899 . . . . 0.0 111.919 173.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.41 -40.34 82.18 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.138 0.881 . . . . 0.0 112.32 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -66.85 -46.76 74.03 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.937 0.895 . . . . 0.0 112.129 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -57.88 -48.69 79.1 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.005 0.922 . . . . 0.0 112.151 175.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.4 mt -63.24 -44.8 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.835 0.854 . . . . 0.0 110.784 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -59.79 -43.07 94.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.416 1.086 . . . . 0.0 113.058 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 mm -84.11 -52.89 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 124.744 1.217 . . . . 0.0 112.259 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.2 t -85.15 -33.44 22.33 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.916 1.286 . . . . 0.0 114.018 -173.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.27 -12.12 28.65 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.864 1.697 . . . . 0.0 115.616 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -150.6 169.46 21.5 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.191 1.495 . . . . 0.0 113.52 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.21 170.38 8.74 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.428 1.491 . . . . 0.0 112.913 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -62.41 149.21 43.12 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.85 1.26 . . . . 0.0 113.146 171.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -72.4 -53.38 12.42 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.659 1.583 . . . . 0.0 113.031 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.44 164.84 32.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.058 1.743 . . . . 0.0 110.979 -175.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.72 -35.29 72.43 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 118.726 -0.654 . . . . 0.0 112.094 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -49.2 -52.2 28.26 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.823 1.249 . . . . 0.0 112.664 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.57 -42.3 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.861 0.864 . . . . 0.0 110.988 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -55.62 32.39 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.036 0.934 . . . . 0.0 111.451 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.3 m -69.67 -34.14 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.596 1.159 . . . . 0.0 113.041 -176.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.91 -49.63 75.42 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.573 0.749 . . . . 0.0 111.409 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.14 -35.31 80.13 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.2 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.73 -57.66 11.77 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.665 1.121 . . . . 0.0 112.445 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.7 m -60.65 -40.16 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 118.725 0.693 . . . . 0.0 111.616 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.41 -51.99 67.53 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.896 0.771 . . . . 0.0 112.255 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.7 91.58 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.937 0.895 . . . . 0.0 113.136 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? . . . . . 0 CA--C 1.546 0.82 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.538 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 m -61.71 -30.88 71.05 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.883 1.273 . . . . 0.0 112.456 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.21 -46.3 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.08 1.352 . . . . 0.0 110.331 174.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -71.7 -45.32 62.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.669 0.788 . . . . 0.0 112.298 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -72.55 -18.51 61.62 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -172.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -132.14 96.8 19.13 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 124.288 1.035 . . . . 0.0 112.021 -172.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.79 -15.29 43.86 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.496 2.797 . . . . 0.0 115.199 -166.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 42.7 mtp -57.5 -23.43 50.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.792 1.237 . . . . 0.0 113.1 172.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -56.51 -54.59 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.34 1.056 . . . . 0.0 111.127 176.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -57.23 -40.57 77.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.406 0.683 . . . . 0.0 112.05 -176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.4 -36.9 85.25 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.149 1.38 . . . . 0.0 113.048 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.43 -52.78 60.04 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.265 -0.897 . . . . 0.0 111.908 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -56.5 -39.68 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.264 0.938 . . . . 0.0 111.59 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -55.81 -32.92 63.96 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.213 1.005 . . . . 0.0 113.66 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.3 mtm -74.19 -10.29 59.46 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.3 -2.99 14.09 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.753 1.644 . . . . 0.0 115.568 176.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -68.86 161.98 27.46 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.028 1.414 . . . . 0.0 112.946 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.1 m -86.97 138.86 31.16 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.425 1.49 . . . . 0.0 112.147 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.61 -47.98 58.04 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.162 0.985 . . . . 0.0 112.956 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -30.64 68.92 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.306 1.043 . . . . 0.0 113.613 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -79.19 -33.64 43.72 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.725 -0.655 . . . . 0.0 112.475 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -69.35 -50.04 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-N 119.343 0.974 . . . . 0.0 111.081 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -41.94 79.48 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 118.713 -0.66 . . . . 0.0 111.588 175.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -60.67 -54.61 43.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.244 1.018 . . . . 0.0 111.935 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.7 tt -64.84 -37.29 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 118.532 0.606 . . . . 0.0 112.24 -177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.9 mtt -67.34 -50.69 58.93 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.244 0.929 . . . . 0.0 112.781 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -59.72 -40.22 87.28 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.756 1.162 . . . . 0.0 111.767 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -66.77 -45.73 77.55 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.557 1.143 . . . . 0.0 112.129 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -54.32 -52.93 59.96 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.168 1.387 . . . . 0.0 111.784 173.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -60.67 -46.68 95.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.879 0.872 . . . . 0.0 110.612 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -60.17 -40.64 90.65 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.042 0.937 . . . . 0.0 112.978 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.4 mm -82.43 -55.74 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.974 1.31 . . . . 0.0 112.047 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 t -77.92 -38.27 45.91 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.749 1.22 . . . . 0.0 113.776 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.26 -12.17 51.67 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 126.081 1.8 . . . . 0.0 114.73 -175.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.5 m -137.9 157.41 46.46 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.178 1.791 . . . . 0.0 111.741 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -85.47 171.67 11.6 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.205 1.002 . . . . 0.0 112.244 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -63.57 156.55 26.22 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.235 1.414 . . . . 0.0 112.964 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -127.74 -17.48 4.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.783 1.633 . . . . 0.0 115.349 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.0 m -140.76 150.17 43.05 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.829 1.651 . . . . 0.0 110.057 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.09 -33.49 75.56 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.737 -0.649 . . . . 0.0 111.993 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -50.49 -55.63 15.17 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.679 1.191 . . . . 0.0 112.77 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.8 m -65.76 -36.42 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -56.26 19.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.435 0.694 . . . . 0.0 110.883 178.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.5 m -70.35 -33.31 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.648 1.179 . . . . 0.0 113.131 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.67 -51.23 68.03 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.494 0.717 . . . . 0.0 111.457 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -33.77 76.66 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.499 -0.762 . . . . 0.0 112.005 177.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.9 mt -56.72 -61.01 2.72 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.835 1.198 . . . . 0.0 112.1 170.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -60.42 -30.66 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 119.454 1.025 . . . . 0.0 112.753 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -72.69 -41.93 64.77 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.737 0.815 . . . . 0.0 112.747 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.37 -27.82 65.65 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.35 1.06 . . . . 0.0 113.156 175.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 . . . . . 0 CA--C 1.546 0.826 0 C-N-CA 125.334 1.454 . . . . 0.0 114.009 173.74 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.7 m -54.27 -35.22 62.31 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.123 1.769 . . . . 0.0 113.02 174.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.0 mt -67.56 -37.18 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.745 1.618 . . . . 0.0 111.617 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -77.59 -48.27 17.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.973 1.309 . . . . 0.0 112.242 -178.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -70.88 -19.53 62.61 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -130.15 96.03 26.33 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 124.439 1.096 . . . . 0.0 111.64 -170.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.55 -17.26 48.42 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.311 2.674 . . . . 0.0 115.028 -166.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.3 mtp -58.19 -22.72 52.86 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.67 1.188 . . . . 0.0 113.624 172.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.0 t -56.84 -56.83 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 123.677 0.791 . . . . 0.0 110.808 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -54.65 -39.64 68.23 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.857 1.263 . . . . 0.0 111.966 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.41 -36.54 84.48 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.764 1.226 . . . . 0.0 113.561 174.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.43 71.66 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.261 -0.9 . . . . 0.0 111.859 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.18 -40.7 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.242 0.928 . . . . 0.0 111.346 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -56.81 -30.75 64.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.27 1.028 . . . . 0.0 113.74 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.7 mtm -76.53 -10.97 59.78 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.11 -4.06 12.67 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.734 1.635 . . . . 0.0 115.619 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -68.42 162.86 24.53 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.273 1.537 . . . . 0.0 112.587 173.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 m -89.2 141.72 28.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.938 1.295 . . . . 0.0 112.16 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -50.12 -48.08 53.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.34 1.056 . . . . 0.0 113.111 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -29.44 70.22 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -179.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -75.36 -37.97 60.35 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.839 0.745 . . . . 0.0 111.925 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.79 -49.23 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 119.004 0.82 . . . . 0.0 111.173 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -40.98 76.77 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.681 -0.637 . . . . 0.0 111.657 174.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -48.6 71.71 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.75 1.22 . . . . 0.0 111.917 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 tt -67.86 -33.09 59.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.247 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.2 mtt -68.73 -51.21 43.94 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.475 1.034 . . . . 0.0 113.332 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.21 -37.73 75.39 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.929 1.24 . . . . 0.0 111.956 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -52.86 50.64 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.377 1.071 . . . . 0.0 111.437 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -51.66 -52.18 50.02 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.264 1.426 . . . . 0.0 111.777 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.67 -49.62 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.552 0.741 . . . . 0.0 110.649 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -62.34 -39.01 91.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.208 1.003 . . . . 0.0 113.625 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.7 mm -85.31 -52.4 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.421 1.489 . . . . 0.0 111.872 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 t -87.7 -26.79 22.78 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.558 1.543 . . . . 0.0 114.237 -171.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.12 -6.56 72.5 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.614 1.578 . . . . 0.0 115.638 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.7 p -144.42 148.03 34.11 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.839 1.656 . . . . 0.0 111.673 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -77.76 168.08 20.52 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.231 0.612 . . . . 0.0 111.848 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -65.14 140.84 58.83 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.787 1.235 . . . . 0.0 112.384 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -114.67 -13.22 12.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.099 1.76 . . . . 0.0 114.876 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.1 m -134.63 145.99 49.12 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.513 1.525 . . . . 0.0 110.912 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.55 -39.25 87.26 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.275 0.63 . . . . 0.0 112.028 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.1 -57.0 10.9 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.154 1.382 . . . . 0.0 112.832 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.74 -36.67 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.298 0.639 . . . . 0.0 112.094 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -56.91 16.02 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.308 1.043 . . . . 0.0 110.887 176.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 m -72.22 -33.44 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.153 0.981 . . . . 0.0 112.911 -174.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.25 82.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.686 0.795 . . . . 0.0 111.418 170.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -65.39 -38.1 88.97 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.637 -0.697 . . . . 0.0 112.17 175.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.9 mt -56.75 -54.13 49.78 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.786 1.175 . . . . 0.0 112.405 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.6 m -63.18 -39.31 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 118.776 0.716 . . . . 0.0 112.095 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -62.31 -41.69 98.73 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.831 0.852 . . . . 0.0 112.625 175.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.11 -54.58 23.87 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.731 1.212 . . . . 0.0 112.135 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.281 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.1 m -62.6 -25.74 68.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.209 1.004 . . . . 0.0 112.994 172.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mt -61.78 -48.76 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.347 1.059 . . . . 0.0 110.478 171.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -69.33 -44.3 71.97 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.119 0.568 . . . . 0.0 111.844 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -69.89 -22.64 63.21 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -125.29 96.89 38.32 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -171.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -66.98 -21.29 49.95 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.769 2.979 . . . . 0.0 114.137 -171.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 57.0 mtp -57.96 -23.11 52.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.762 1.225 . . . . 0.0 112.739 172.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.18 -59.08 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 123.35 0.66 . . . . 0.0 110.018 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -54.12 -42.57 69.61 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.626 0.77 . . . . 0.0 112.749 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -59.98 -41.48 92.1 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.555 1.142 . . . . 0.0 112.835 174.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.34 -55.48 33.08 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.887 0.767 . . . . 0.0 111.632 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -53.48 -41.77 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-N 120.269 1.395 . . . . 0.0 111.913 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -58.32 -25.74 62.24 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.552 1.141 . . . . 0.0 114.045 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.6 mtm -76.61 -3.98 40.58 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 171.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.68 9.64 28.32 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.527 1.537 . . . . 0.0 115.001 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -76.2 175.72 8.74 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 118.737 1.268 . . . . 0.0 112.873 171.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 m -104.8 135.94 45.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.529 1.932 . . . . 0.0 110.828 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -52.02 -45.43 64.59 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.311 0.96 . . . . 0.0 112.813 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -44.3 68.45 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.276 1.43 . . . . 0.0 112.714 173.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.28 -40.5 86.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.552 0.614 . . . . 0.0 111.454 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.2 mm -68.03 -49.63 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 118.348 0.522 . . . . 0.0 111.725 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -41.68 90.38 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.328 -0.858 . . . . 0.0 112.069 175.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -62.56 -49.01 76.98 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.048 1.339 . . . . 0.0 111.812 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.5 tt -66.3 -38.5 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.263 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -57.3 12.51 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.167 0.894 . . . . 0.0 111.932 174.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.81 -44.29 81.84 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.667 0.667 . . . . 0.0 111.64 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -64.14 -48.2 76.98 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.062 0.945 . . . . 0.0 112.593 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -52.12 -53.98 36.06 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.702 1.201 . . . . 0.0 111.094 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.9 mt -68.83 -38.83 79.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 123.216 0.606 . . . . 0.0 110.903 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -63.92 -40.58 96.81 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.28 1.032 . . . . 0.0 112.881 176.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.3 mm -83.87 -54.48 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.084 1.354 . . . . 0.0 111.763 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.6 t -75.16 -48.58 22.97 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.872 1.669 . . . . 0.0 113.179 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.23 -10.33 24.52 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 126.161 1.838 . . . . 0.0 115.145 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.4 p -142.69 158.91 43.17 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.682 1.593 . . . . 0.0 112.421 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -71.02 174.04 6.75 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 112.353 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -65.9 152.4 44.56 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.208 1.403 . . . . 0.0 112.715 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -83.41 -55.55 4.25 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.478 1.511 . . . . 0.0 112.416 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.5 m -143.57 166.78 23.88 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.389 1.876 . . . . 0.0 110.834 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.87 -34.88 70.23 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.928 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -48.08 -51.43 24.46 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.564 1.075 . . . . 0.0 112.965 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.41 -40.09 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 122.927 0.491 . . . . 0.0 111.046 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -58.54 7.87 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.86 0.864 . . . . 0.0 111.263 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.3 m -65.72 -37.12 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.949 1.7 . . . . 0.0 112.379 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.13 -52.71 63.74 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.646 0.657 . . . . 0.0 111.232 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -63.41 -36.21 82.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.594 -0.717 . . . . 0.0 111.731 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.34 -58.65 7.55 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.99 1.268 . . . . 0.0 111.952 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.2 m -62.06 -23.77 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 118.805 0.73 . . . . 0.0 112.956 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -87.06 -27.94 22.86 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.268 1.027 . . . . 0.0 113.72 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.84 -42.1 50.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.275 1.43 . . . . 0.0 111.922 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 175.884 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 . . . . . 0 CA--C 1.545 0.767 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.9 m -69.52 -21.85 63.63 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.786 -1.197 . . . . 0.0 112.835 171.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.11 -52.76 57.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.331 1.052 . . . . 0.0 110.199 170.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -69.98 -43.83 70.67 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -70.21 -18.21 63.16 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -131.76 93.34 28.11 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 124.219 1.008 . . . . 0.0 111.913 -170.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.61 -15.43 47.56 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.698 2.932 . . . . 0.0 115.085 -165.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.7 mtp -56.45 -23.73 40.8 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.296 1.438 . . . . 0.0 113.213 171.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.67 -58.08 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 124.633 1.173 . . . . 0.0 111.388 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -56.27 -38.99 71.93 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.781 0.832 . . . . 0.0 112.434 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -64.41 -33.85 76.81 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.75 1.22 . . . . 0.0 113.123 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.65 -51.56 58.57 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.098 -1.001 . . . . 0.0 112.078 173.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.33 -41.03 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.362 0.983 . . . . 0.0 111.34 175.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -55.02 -33.15 62.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.574 1.15 . . . . 0.0 113.855 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.8 mtm -75.37 -10.39 59.42 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.3 -3.52 13.92 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.481 1.515 . . . . 0.0 115.618 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -68.01 167.44 13.86 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.045 1.422 . . . . 0.0 112.13 171.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.3 m -101.31 143.47 31.33 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.74 1.216 . . . . 0.0 112.09 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.37 -46.86 56.26 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.56 1.144 . . . . 0.0 113.08 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -33.93 66.7 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.336 1.455 . . . . 0.0 113.756 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -76.17 -37.5 57.82 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.419 0.688 . . . . 0.0 112.319 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mm -69.31 -48.47 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 119.154 0.888 . . . . 0.0 111.113 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -40.92 84.74 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.692 -0.63 . . . . 0.0 111.83 175.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -53.18 60.51 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.951 1.7 . . . . 0.0 111.545 175.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 tt -67.33 -35.25 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 118.699 -0.667 . . . . 0.0 112.266 -177.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.7 mtt -67.98 -49.67 60.25 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.542 1.065 . . . . 0.0 112.89 174.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.54 -36.69 79.05 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.7 1.137 . . . . 0.0 111.936 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -53.78 39.58 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.044 0.937 . . . . 0.0 111.966 172.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -51.56 -51.86 51.94 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.385 1.474 . . . . 0.0 112.067 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -61.61 -48.31 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.65 0.78 . . . . 0.0 110.495 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -65.14 -35.12 80.09 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.4 mm -80.36 -61.38 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.431 1.492 . . . . 0.0 111.747 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -82.31 -25.96 33.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.197 1.399 . . . . 0.0 114.034 -168.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.02 -6.56 64.15 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.806 1.67 . . . . 0.0 115.284 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.5 p -144.13 162.15 37.02 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.774 1.63 . . . . 0.0 112.228 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -88.29 170.05 11.32 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.781 0.832 . . . . 0.0 111.901 175.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -61.24 150.74 33.68 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.435 1.494 . . . . 0.0 112.94 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -122.2 -17.6 7.11 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.7 m -143.11 150.2 39.15 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.166 1.786 . . . . 0.0 110.552 173.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.76 -38.73 79.12 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.357 0.663 . . . . 0.0 111.537 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -50.05 -48.04 53.13 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.955 1.302 . . . . 0.0 112.757 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.34 -44.7 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.056 0.942 . . . . 0.0 110.884 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -55.2 38.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.746 1.218 . . . . 0.0 111.127 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.53 -34.24 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.347 1.059 . . . . 0.0 112.932 -175.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.21 -49.06 77.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.485 0.714 . . . . 0.0 111.585 172.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -64.32 -39.29 93.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 118.817 -0.611 . . . . 0.0 112.0 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.0 mt -56.27 -55.41 33.63 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.37 1.068 . . . . 0.0 112.248 174.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -60.34 -44.5 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 118.972 0.805 . . . . 0.0 111.417 177.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -61.21 -37.76 84.16 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.002 0.819 . . . . 0.0 113.093 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.64 -43.35 69.39 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.773 1.229 . . . . 0.0 113.197 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 179.804 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 m -58.78 -28.32 65.83 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.828 1.251 . . . . 0.0 113.149 173.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.8 mt -58.22 -45.28 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.144 1.378 . . . . 0.0 111.178 171.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.64 -44.13 57.7 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.93 0.892 . . . . 0.0 112.178 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -71.6 -19.52 62.12 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -171.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -134.21 101.34 12.41 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.34 1.056 . . . . 0.0 112.229 -170.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.82 -15.28 40.39 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.395 2.73 . . . . 0.0 115.332 -167.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.4 mtp -60.09 -21.61 61.71 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.077 0.951 . . . . 0.0 112.825 171.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -60.27 -58.33 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.827 0.851 . . . . 0.0 111.02 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.25 -36.97 71.63 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.031 0.832 . . . . 0.0 112.683 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -62.88 -29.39 70.73 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.306 1.442 . . . . 0.0 113.388 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.27 -53.86 17.62 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.974 -1.079 . . . . 0.0 111.599 170.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -53.75 -40.07 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.117 0.871 . . . . 0.0 112.354 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.89 -23.17 60.72 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 mtm -81.05 -8.94 59.88 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.72 -3.5 17.4 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.709 1.623 . . . . 0.0 115.47 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -67.09 164.47 17.84 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.132 1.466 . . . . 0.0 112.36 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.3 m -99.11 138.66 35.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.827 1.251 . . . . 0.0 112.173 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -47.88 -48.84 31.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.115 1.366 . . . . 0.0 113.388 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -30.47 66.88 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.951 1.3 . . . . 0.0 114.056 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -77.95 -37.02 48.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.065 0.848 . . . . 0.0 111.574 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.98 -48.49 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 118.925 0.784 . . . . 0.0 111.144 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -42.76 85.45 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 118.859 0.754 . . . . 0.0 111.775 173.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -63.64 -40.55 97.15 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.201 1.401 . . . . 0.0 113.26 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.7 tt -76.32 -37.62 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.425 1.011 . . . . 0.0 112.171 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.6 mmt -58.12 -57.93 10.7 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.787 1.235 . . . . 0.0 111.965 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.28 -43.57 78.93 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.456 0.702 . . . . 0.0 111.828 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.34 -45.27 76.87 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.05 0.94 . . . . 0.0 112.217 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -55.33 -52.0 64.9 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.395 1.078 . . . . 0.0 111.301 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.06 -45.19 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.197 0.999 . . . . 0.0 110.887 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -61.17 -50.91 71.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.754 1.221 . . . . 0.0 113.056 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.8 mm -76.02 -53.86 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.306 1.443 . . . . 0.0 111.97 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.0 t -80.87 -34.61 33.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.426 1.09 . . . . 0.0 113.532 -174.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.04 -9.0 50.37 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.897 1.713 . . . . 0.0 114.986 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -141.35 161.98 36.59 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.418 1.487 . . . . 0.0 112.711 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -74.86 171.26 14.33 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.175 1.39 . . . . 0.0 111.933 175.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -64.21 149.34 48.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.875 1.67 . . . . 0.0 113.219 173.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -77.96 -58.76 3.09 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.583 1.553 . . . . 0.0 112.121 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 m -148.1 169.27 20.36 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 127.722 2.409 . . . . 0.0 110.194 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.9 -34.2 69.57 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.453 0.701 . . . . 0.0 112.667 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -50.69 -49.77 56.55 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.671 1.189 . . . . 0.0 112.779 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -69.27 -42.67 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.013 0.925 . . . . 0.0 110.727 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -55.58 33.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.111 1.365 . . . . 0.0 111.68 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.3 m -69.85 -33.14 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.064 0.946 . . . . 0.0 112.923 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.05 73.17 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.637 0.775 . . . . 0.0 111.456 172.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.66 -39.34 93.61 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.78 -0.629 . . . . 0.0 112.411 174.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.68 -59.27 5.09 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.284 0.947 . . . . 0.0 112.204 174.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.4 m -62.0 -34.46 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-N 118.81 0.732 . . . . 0.0 112.288 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -64.51 -44.82 89.73 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.144 0.978 . . . . 0.0 112.577 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.93 -32.64 69.6 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.815 1.246 . . . . 0.0 113.482 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 123.967 0.907 . . . . 0.0 112.828 173.47 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 m -61.27 -28.06 68.91 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.638 1.175 . . . . 0.0 112.881 174.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.6 mt -57.01 -46.38 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.515 1.126 . . . . 0.0 110.628 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.25 -41.69 60.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.324 0.65 . . . . 0.0 112.215 179.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -70.66 -21.93 62.55 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.78 97.15 27.84 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.315 1.046 . . . . 0.0 112.089 -168.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.34 -18.05 49.78 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.369 2.713 . . . . 0.0 114.427 -170.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.8 mtp -56.79 -24.91 53.87 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.238 1.415 . . . . 0.0 113.093 171.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.54 -58.61 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.398 1.079 . . . . 0.0 111.002 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -51.87 -44.11 63.57 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 112.021 -178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -62.21 -37.41 85.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.131 1.373 . . . . 0.0 113.335 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.66 46.91 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.119 0.872 . . . . 0.0 112.08 174.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.41 -39.6 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.583 1.083 . . . . 0.0 111.516 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.7 ttm-85 -59.4 -22.36 61.31 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.7 mtm -81.29 -8.9 59.82 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 171.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.25 -1.41 18.96 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.725 1.631 . . . . 0.0 115.53 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -68.38 166.72 16.07 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.076 1.438 . . . . 0.0 112.786 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -94.44 139.75 30.72 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.282 1.433 . . . . 0.0 112.143 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.35 -46.71 62.78 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.403 1.081 . . . . 0.0 112.957 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -51.81 -48.23 63.94 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.085 1.754 . . . . 0.0 112.469 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.42 -36.65 83.36 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.248 0.619 . . . . 0.0 112.485 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -68.51 -51.48 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 119.17 0.895 . . . . 0.0 111.496 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -39.19 79.78 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.025 0.829 . . . . 0.0 111.92 176.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -62.42 -51.19 68.52 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.378 1.071 . . . . 0.0 111.813 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -66.08 -37.67 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 118.767 -0.635 . . . . 0.0 112.298 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 mtt -65.33 -51.67 59.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.277 0.944 . . . . 0.0 112.689 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.74 -40.04 93.71 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.987 0.812 . . . . 0.0 111.944 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.62 -49.41 71.19 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.869 0.759 . . . . 0.0 112.13 174.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -53.39 -54.14 41.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.753 1.221 . . . . 0.0 111.416 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.44 -42.05 94.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.695 0.798 . . . . 0.0 111.161 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -62.23 -45.9 91.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.239 1.016 . . . . 0.0 113.178 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.0 mm -80.47 -51.53 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.016 1.326 . . . . 0.0 112.026 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.0 t -86.07 -32.08 21.58 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.393 1.477 . . . . 0.0 113.894 -173.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.6 -12.27 59.63 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.706 1.622 . . . . 0.0 115.273 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -137.89 163.37 31.64 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.96 1.704 . . . . 0.0 111.974 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -73.42 169.4 17.25 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.524 1.129 . . . . 0.0 112.563 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -59.0 148.4 30.92 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.78 1.232 . . . . 0.0 112.999 165.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -75.83 -59.44 2.75 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.058 1.743 . . . . 0.0 111.976 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 m -145.74 167.56 22.85 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.04 2.136 . . . . 0.0 110.556 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.85 -37.65 69.04 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.969 0.907 . . . . 0.0 112.242 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.56 -33.89 56.33 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.6 t -82.34 -44.63 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.539 0.736 . . . . 0.0 110.241 174.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.45 -55.18 31.47 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.775 1.23 . . . . 0.0 111.458 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.2 m -69.72 -34.61 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.804 1.242 . . . . 0.0 113.044 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.58 73.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.767 0.827 . . . . 0.0 111.312 172.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.32 -36.96 85.62 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.67 -0.681 . . . . 0.0 112.144 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.9 mt -56.75 -56.27 23.63 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.765 1.166 . . . . 0.0 112.211 172.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.78 -40.64 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 118.807 0.731 . . . . 0.0 111.668 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -64.33 -38.62 91.67 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.075 0.852 . . . . 0.0 113.291 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.83 -39.55 61.57 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.876 1.27 . . . . 0.0 113.292 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.5 m -58.98 -29.94 67.58 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.796 1.639 . . . . 0.0 113.264 171.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.98 -47.54 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.662 1.185 . . . . 0.0 110.569 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -71.59 -42.55 67.6 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.566 0.746 . . . . 0.0 112.602 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -70.31 -20.42 63.02 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -175.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -131.49 97.36 19.52 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.214 1.005 . . . . 0.0 112.707 -170.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.39 -15.96 42.76 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.702 2.934 . . . . 0.0 115.229 -167.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.6 mtp -57.69 -25.34 60.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.586 1.154 . . . . 0.0 112.597 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 81.5 t -57.91 -54.91 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.195 0.998 . . . . 0.0 111.042 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -56.47 -42.34 78.08 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.414 0.686 . . . . 0.0 112.271 -175.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -62.18 -36.11 80.87 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.601 1.16 . . . . 0.0 113.401 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.99 -54.75 37.25 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.132 0.878 . . . . 0.0 111.399 173.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -54.66 -39.65 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.028 -1.045 . . . . 0.0 111.7 174.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -59.36 -24.49 63.44 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.9 mtm -80.47 -8.9 59.73 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 172.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.67 -1.89 20.03 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.709 1.623 . . . . 0.0 115.477 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -67.38 163.77 20.04 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.184 1.492 . . . . 0.0 112.351 171.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.2 m -92.97 141.25 28.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.007 1.323 . . . . 0.0 112.031 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -49.66 -46.42 49.7 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.819 1.247 . . . . 0.0 112.842 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -54.96 -45.2 74.88 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.925 1.29 . . . . 0.0 112.726 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -65.5 -38.36 89.51 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.993 -0.527 . . . . 0.0 112.169 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mm -68.81 -51.79 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 118.851 0.751 . . . . 0.0 111.589 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -40.58 83.13 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.889 0.768 . . . . 0.0 112.156 177.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -51.81 67.39 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.84 1.656 . . . . 0.0 112.273 174.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 tt -68.42 -35.35 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 119.276 0.944 . . . . 0.0 112.606 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -57.68 11.33 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.055 0.942 . . . . 0.0 111.539 173.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.46 -40.73 83.46 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.641 0.655 . . . . 0.0 112.044 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -66.59 -46.26 76.54 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.781 0.719 . . . . 0.0 112.776 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -55.6 -49.27 73.23 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.394 0.997 . . . . 0.0 111.572 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.97 -44.26 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 123.772 0.829 . . . . 0.0 110.906 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -62.8 -45.28 93.39 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.493 1.117 . . . . 0.0 112.977 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.2 mm -79.68 -55.08 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.32 1.448 . . . . 0.0 111.787 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -79.46 -43.36 23.4 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.273 1.029 . . . . 0.0 113.109 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.61 -10.2 19.15 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.92 1.724 . . . . 0.0 115.032 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -145.49 167.21 23.54 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.422 1.489 . . . . 0.0 112.919 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -82.75 169.68 15.9 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.796 1.238 . . . . 0.0 112.073 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -59.47 149.96 28.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.755 2.422 . . . . 0.0 113.793 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -81.67 -53.23 6.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.485 1.514 . . . . 0.0 112.728 179.706 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -145.9 166.01 27.24 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.272 1.829 . . . . 0.0 110.774 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.24 -35.19 69.4 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.354 0.662 . . . . 0.0 112.07 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -50.19 -50.03 50.69 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.77 1.228 . . . . 0.0 112.623 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.0 t -69.88 -42.5 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.923 0.889 . . . . 0.0 110.789 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.08 -55.5 34.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.701 1.2 . . . . 0.0 111.698 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.59 -34.03 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.767 1.227 . . . . 0.0 112.903 -176.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.38 -51.7 66.54 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.592 0.757 . . . . 0.0 111.239 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -65.4 -33.15 75.28 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 118.67 -0.681 . . . . 0.0 112.179 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -58.05 -60.97 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.648 1.179 . . . . 0.0 112.393 170.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.58 -37.64 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.229 0.922 . . . . 0.0 111.849 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -59.19 -50.12 75.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.524 1.13 . . . . 0.0 112.222 173.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.85 95.99 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.299 1.04 . . . . 0.0 112.381 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.906 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 CA--C 1.54 0.577 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 m -63.86 -26.49 68.64 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -174.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.41 -43.89 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.428 1.091 . . . . 0.0 111.181 170.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -85.63 -40.44 16.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.02 0.928 . . . . 0.0 112.61 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -68.94 -23.2 64.13 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -131.91 106.83 13.9 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.177 0.991 . . . . 0.0 112.467 -176.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.59 -13.56 35.28 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.448 2.765 . . . . 0.0 115.035 -169.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.2 mtp -58.7 -25.65 63.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.363 1.065 . . . . 0.0 112.535 172.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.0 t -59.71 -56.31 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.55 1.14 . . . . 0.0 111.082 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -50.38 -45.43 55.32 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.679 1.192 . . . . 0.0 112.324 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -62.82 -35.34 79.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.942 1.297 . . . . 0.0 113.722 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.09 -50.63 67.58 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.194 -0.941 . . . . 0.0 111.478 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -56.82 -38.89 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 121.276 -0.89 . . . . 0.0 111.364 172.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -59.88 -22.38 62.26 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.7 mtm -82.05 -10.47 59.21 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 171.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.64 -1.79 15.61 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.634 1.587 . . . . 0.0 115.845 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -68.13 164.6 19.98 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.289 1.545 . . . . 0.0 112.988 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.3 m -89.41 139.17 30.79 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.665 1.186 . . . . 0.0 112.103 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -49.62 -45.37 48.16 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.3 1.04 . . . . 0.0 112.964 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -55.84 -35.25 66.21 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.398 1.879 . . . . 0.0 113.559 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -74.47 -43.83 54.32 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.927 0.785 . . . . 0.0 111.987 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.5 -47.47 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 118.288 0.495 . . . . 0.0 111.013 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.85 85.71 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.492 0.587 . . . . 0.0 112.374 174.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -46.98 79.77 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.638 1.175 . . . . 0.0 112.082 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 tt -70.35 -36.57 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 118.851 0.75 . . . . 0.0 112.149 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.5 mmt -58.26 -59.79 4.77 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.01 1.324 . . . . 0.0 111.989 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.32 -41.62 89.51 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.4 0.545 . . . . 0.0 111.915 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -69.48 -43.02 74.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.066 0.947 . . . . 0.0 111.889 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -53.47 -57.28 11.22 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.684 1.194 . . . . 0.0 110.768 170.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.52 -43.4 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.759 0.823 . . . . 0.0 111.375 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.81 -48.77 80.36 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.959 1.304 . . . . 0.0 112.999 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.6 mm -77.56 -55.36 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.379 1.071 . . . . 0.0 112.24 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 t -78.9 -25.72 43.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.802 1.641 . . . . 0.0 113.913 -171.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.36 -5.71 84.42 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.352 1.453 . . . . 0.0 114.895 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -149.63 157.88 43.65 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.224 1.41 . . . . 0.0 112.37 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -67.89 172.66 5.2 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.404 1.882 . . . . 0.0 112.372 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -63.58 143.11 58.09 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.594 1.557 . . . . 0.0 112.786 173.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -67.7 -55.69 12.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.885 1.674 . . . . 0.0 112.936 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.7 m -146.29 166.07 27.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.826 1.65 . . . . 0.0 111.302 -173.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.7 mt -53.68 -41.41 66.87 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.539 1.136 . . . . 0.0 111.974 177.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -50.22 -52.39 36.25 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.702 1.601 . . . . 0.0 112.741 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.22 -44.18 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.943 0.897 . . . . 0.0 110.579 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -55.44 34.26 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.713 1.205 . . . . 0.0 111.618 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.97 -33.64 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.189 0.996 . . . . 0.0 113.078 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.85 73.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.205 0.602 . . . . 0.0 111.367 171.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.32 -35.0 79.43 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.875 -0.583 . . . . 0.0 112.46 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -58.21 -61.05 2.85 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.323 0.965 . . . . 0.0 112.017 171.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.1 m -59.56 -34.23 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 119.233 0.924 . . . . 0.0 112.324 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -62.82 -53.76 49.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.056 1.342 . . . . 0.0 112.488 173.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.02 -29.62 69.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.231 1.012 . . . . 0.0 113.161 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 . . . . . 0 CA--C 1.549 0.915 0 C-N-CA 125.39 1.476 . . . . 0.0 114.382 178.845 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 . . . . . 0 N--CA 1.472 0.655 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -54.98 -27.66 45.65 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.382 1.873 . . . . 0.0 113.667 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.6 mt -55.7 -45.54 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.489 1.116 . . . . 0.0 110.795 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.0 -41.95 16.73 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.002 1.321 . . . . 0.0 111.703 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -67.81 -25.08 65.4 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.161 0.984 . . . . 0.0 113.574 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -132.68 104.27 13.15 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.538 1.135 . . . . 0.0 112.148 -175.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -68.53 -13.19 36.78 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.521 2.814 . . . . 0.0 114.784 -169.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.3 mtp -59.38 -24.26 63.28 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.279 1.032 . . . . 0.0 112.527 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.43 -58.52 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.269 0.628 . . . . 0.0 111.242 173.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -50.85 -45.04 59.63 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.307 1.043 . . . . 0.0 112.276 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -62.37 -35.94 80.72 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.973 1.309 . . . . 0.0 113.634 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.28 -54.23 32.21 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.24 -0.912 . . . . 0.0 111.808 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -54.21 -39.65 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.684 1.129 . . . . 0.0 111.689 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -55.66 -29.96 60.18 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.3 mtm -76.54 -8.12 56.56 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.57 -0.9 21.91 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.788 1.661 . . . . 0.0 115.163 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -67.76 165.36 17.51 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 118.934 1.367 . . . . 0.0 112.704 172.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 m -95.42 138.8 32.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.46 1.504 . . . . 0.0 111.813 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -50.91 -48.14 60.63 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.045 0.938 . . . . 0.0 113.283 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -52.84 -43.81 66.28 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.34 1.856 . . . . 0.0 112.852 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -43.8 86.66 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.964 0.906 . . . . 0.0 111.214 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.09 -50.64 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.13 0.423 . . . . 0.0 111.379 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -38.93 84.91 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.593 -0.692 . . . . 0.0 112.196 176.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -49.41 76.08 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.099 0.96 . . . . 0.0 112.203 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -68.02 -37.67 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 118.736 0.698 . . . . 0.0 112.078 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -55.81 27.6 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.573 1.149 . . . . 0.0 112.065 174.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.07 -40.57 89.96 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.684 0.675 . . . . 0.0 112.141 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -66.4 -48.56 69.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.569 0.748 . . . . 0.0 112.634 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -53.63 -51.83 61.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.438 1.095 . . . . 0.0 111.359 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.9 mt -62.72 -45.75 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.481 0.713 . . . . 0.0 111.224 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -61.36 -46.35 90.61 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.104 0.866 . . . . 0.0 112.778 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -76.45 -51.53 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.696 1.198 . . . . 0.0 112.078 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 t -85.06 -33.86 22.39 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.168 1.387 . . . . 0.0 113.917 -171.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.12 -18.49 36.3 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 126.356 1.932 . . . . 0.0 115.209 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.3 m -140.25 165.53 27.14 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.029 1.732 . . . . 0.0 112.111 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -74.66 170.48 15.72 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.559 1.144 . . . . 0.0 112.453 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -59.31 147.12 37.1 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.213 1.805 . . . . 0.0 113.274 175.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -76.8 -50.15 14.18 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.658 1.583 . . . . 0.0 113.271 -175.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.8 m -153.09 167.55 28.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.445 2.298 . . . . 0.0 110.246 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.48 -34.16 70.57 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 118.323 -0.846 . . . . 0.0 112.434 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -51.57 -51.67 53.55 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.788 1.176 . . . . 0.0 112.739 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.64 -42.69 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.443 0.697 . . . . 0.0 110.478 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -56.2 25.0 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.625 1.17 . . . . 0.0 111.424 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -70.18 -33.94 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.846 1.258 . . . . 0.0 113.09 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.37 67.96 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.453 0.701 . . . . 0.0 111.305 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.96 -35.06 79.45 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 118.832 -0.604 . . . . 0.0 112.296 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 mt -57.36 -61.67 2.31 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.513 1.052 . . . . 0.0 112.252 172.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 m -60.74 -33.63 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.367 0.985 . . . . 0.0 112.16 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -63.42 -47.84 80.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.306 1.043 . . . . 0.0 112.777 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.2 66.14 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.637 1.175 . . . . 0.0 113.469 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 . . . . . 0 N--CA 1.469 0.497 0 C-N-CA 124.364 1.066 . . . . 0.0 112.663 173.094 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.4 m -56.09 -27.93 55.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.292 1.437 . . . . 0.0 112.933 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -56.5 -49.49 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.249 1.42 . . . . 0.0 111.098 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -74.95 -42.29 57.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.856 0.862 . . . . 0.0 112.353 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -68.45 -22.08 64.6 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -174.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -131.83 101.72 15.27 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.591 1.156 . . . . 0.0 112.197 -172.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.48 -15.5 41.82 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.596 2.864 . . . . 0.0 115.188 -167.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.1 mtp -58.95 -25.31 63.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.841 0.857 . . . . 0.0 112.832 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.22 -56.64 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.43 0.692 . . . . 0.0 110.461 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -51.79 -45.32 63.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.912 0.885 . . . . 0.0 112.416 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -60.97 -35.9 77.98 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.929 1.291 . . . . 0.0 113.417 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.58 56.46 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.344 -0.848 . . . . 0.0 112.219 174.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.44 -38.14 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.237 0.926 . . . . 0.0 111.314 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -59.43 -23.85 63.02 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.0 mtm -81.79 -9.22 59.68 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 172.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.08 -2.55 14.49 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.711 1.625 . . . . 0.0 115.739 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -68.11 162.12 25.4 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.292 1.546 . . . . 0.0 112.9 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.4 m -87.85 141.52 28.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.906 1.282 . . . . 0.0 111.986 175.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -51.03 -45.01 61.13 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.146 0.978 . . . . 0.0 112.993 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -42.85 69.63 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.165 1.786 . . . . 0.0 113.038 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.56 -41.49 92.89 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.461 0.573 . . . . 0.0 111.553 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mm -70.1 -49.22 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 118.529 0.604 . . . . 0.0 111.746 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -43.42 85.0 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.89 0.768 . . . . 0.0 111.602 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -58.99 -53.89 53.26 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.354 1.462 . . . . 0.0 111.829 175.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 tt -67.24 -34.93 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 118.784 0.72 . . . . 0.0 112.657 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.4 mmt -61.11 -58.08 9.87 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.95 0.9 . . . . 0.0 111.836 172.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.04 -38.53 86.48 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.866 0.757 . . . . 0.0 112.38 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.19 -50.74 69.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.284 1.033 . . . . 0.0 111.769 174.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -54.38 -50.45 67.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.796 1.238 . . . . 0.0 111.849 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.91 -49.45 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.653 0.781 . . . . 0.0 110.895 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -64.0 -43.13 96.63 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.568 1.147 . . . . 0.0 113.421 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.0 mm -77.4 -53.2 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.324 1.45 . . . . 0.0 111.946 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -89.59 -35.02 16.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.183 1.393 . . . . 0.0 114.086 -169.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.49 -17.59 25.83 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 126.021 1.772 . . . . 0.0 115.135 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.1 p -144.14 156.51 44.36 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.897 1.679 . . . . 0.0 111.69 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -82.12 170.39 15.55 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.73 0.812 . . . . 0.0 113.151 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -63.86 143.64 57.69 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.524 1.129 . . . . 0.0 112.279 175.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -113.17 -15.65 12.72 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.0 p -136.82 152.53 50.38 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.949 1.3 . . . . 0.0 110.911 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.36 -31.43 72.21 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.743 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -53.06 -55.88 20.38 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.257 1.023 . . . . 0.0 112.624 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.5 -37.81 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.981 -0.449 . . . . 0.0 112.088 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -56.33 22.98 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.876 0.87 . . . . 0.0 111.097 178.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.0 m -70.27 -33.58 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.288 1.035 . . . . 0.0 112.753 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.84 75.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.507 0.723 . . . . 0.0 111.666 171.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -65.4 -37.76 87.94 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.692 -0.63 . . . . 0.0 112.091 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.0 mt -56.91 -56.97 14.8 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.243 1.017 . . . . 0.0 112.324 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.5 -41.42 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.909 0.777 . . . . 0.0 111.349 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -61.41 -45.17 95.46 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.091 0.86 . . . . 0.0 112.703 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.91 -33.18 71.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 176.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 CA--C 1.546 0.821 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.1 m -66.32 -26.59 67.37 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.825 -1.172 . . . . 0.0 112.71 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.3 mt -58.85 -45.03 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.885 1.274 . . . . 0.0 110.986 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.85 -32.37 59.73 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.983 0.913 . . . . 0.0 112.865 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -84.41 -18.46 35.95 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -174.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -130.57 101.67 17.12 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 124.33 1.052 . . . . 0.0 112.253 -167.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.52 -17.01 43.56 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.247 2.631 . . . . 0.0 114.635 -169.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.2 mtp -59.56 -23.74 63.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.447 1.099 . . . . 0.0 112.952 171.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.04 -61.58 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.844 0.858 . . . . 0.0 110.336 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -53.86 -40.95 66.96 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.489 1.116 . . . . 0.0 112.467 -176.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -61.18 -33.3 73.22 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.845 1.258 . . . . 0.0 113.605 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.18 -52.34 35.53 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.131 0.878 . . . . 0.0 111.832 174.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -53.91 -39.61 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 119.225 0.92 . . . . 0.0 111.468 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -58.87 -21.29 56.82 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.9 mtm -83.45 -9.78 58.79 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 171.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.53 -2.72 13.81 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.776 1.655 . . . . 0.0 115.565 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -68.28 168.22 12.85 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.142 1.471 . . . . 0.0 113.006 173.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 m -99.86 134.03 43.36 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.693 1.597 . . . . 0.0 111.828 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -46.39 -48.59 18.59 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.097 1.359 . . . . 0.0 113.228 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -29.62 63.02 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.126 1.771 . . . . 0.0 114.598 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -85.0 -36.62 21.18 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.049 0.84 . . . . 0.0 111.502 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.7 -50.35 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 118.526 0.603 . . . . 0.0 110.683 175.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -35.42 78.36 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.516 -0.74 . . . . 0.0 112.464 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -50.14 69.1 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.188 0.995 . . . . 0.0 111.656 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -67.55 -35.84 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.452 0.569 . . . . 0.0 112.024 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.7 mmt -59.67 -57.89 10.98 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.672 1.189 . . . . 0.0 112.321 172.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.62 -40.49 92.11 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.851 0.75 . . . . 0.0 111.964 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.07 -45.57 80.83 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.689 0.796 . . . . 0.0 112.072 177.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -53.52 -57.42 10.77 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.847 1.259 . . . . 0.0 110.948 172.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.38 -44.19 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.603 0.761 . . . . 0.0 111.153 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.72 -46.73 89.29 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.835 1.254 . . . . 0.0 113.226 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -81.36 -52.53 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.64 1.176 . . . . 0.0 112.184 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.1 t -81.55 -27.45 34.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.933 1.693 . . . . 0.0 113.897 -173.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.52 -6.97 77.89 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.658 1.599 . . . . 0.0 115.207 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.5 m -147.65 162.02 39.98 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.001 1.72 . . . . 0.0 112.242 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -64.94 178.23 0.85 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 126.465 1.906 . . . . 0.0 112.997 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.31 150.78 45.99 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.639 1.175 . . . . 0.0 112.554 170.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -75.48 -56.31 4.83 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.841 1.656 . . . . 0.0 112.408 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.3 m -144.97 166.46 25.24 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.846 2.058 . . . . 0.0 110.523 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.12 -34.55 70.34 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.264 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -52.53 -50.57 62.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.173 0.989 . . . . 0.0 112.67 177.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.9 -45.15 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.966 0.907 . . . . 0.0 110.46 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.0 -56.63 18.37 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.082 1.353 . . . . 0.0 111.468 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.72 -34.52 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.299 1.04 . . . . 0.0 112.9 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.35 -49.22 77.81 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.66 0.664 . . . . 0.0 111.362 171.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.55 -34.43 78.24 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.464 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 mt -59.67 -58.08 10.12 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.823 1.192 . . . . 0.0 112.351 171.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.3 m -62.89 -26.79 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.739 0.7 . . . . 0.0 112.704 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -68.99 -58.1 4.57 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.438 1.095 . . . . 0.0 111.482 169.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.35 -35.18 71.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.179 1.392 . . . . 0.0 113.767 -176.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 175.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 m -62.09 -26.16 68.12 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.221 1.408 . . . . 0.0 113.342 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.4 mt -59.76 -43.44 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.622 1.169 . . . . 0.0 111.001 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -43.77 59.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.536 0.734 . . . . 0.0 112.362 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -71.36 -19.03 62.34 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.46 92.07 32.84 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.838 1.255 . . . . 0.0 111.023 -167.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.3 -16.75 48.94 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.101 2.534 . . . . 0.0 114.621 -168.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.8 mtp -54.83 -26.89 38.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.084 1.353 . . . . 0.0 113.274 169.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.83 -54.45 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 123.826 0.851 . . . . 0.0 111.241 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -56.2 -41.67 75.93 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.544 0.738 . . . . 0.0 112.33 -176.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -63.21 -34.94 78.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.938 1.295 . . . . 0.0 113.088 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -51.17 62.37 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.289 -0.882 . . . . 0.0 111.917 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -55.43 -41.93 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.231 0.923 . . . . 0.0 111.369 173.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -56.24 -29.47 61.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.625 1.17 . . . . 0.0 114.011 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.5 mtm -76.42 -12.67 60.09 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.17 -5.32 9.52 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.454 1.502 . . . . 0.0 115.837 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -66.52 156.22 35.48 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.254 1.527 . . . . 0.0 111.978 171.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.0 m -82.17 149.22 28.05 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.118 -0.989 . . . . 0.0 111.871 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.86 -49.18 59.64 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.699 1.199 . . . . 0.0 112.973 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.61 -44.75 37.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.642 1.977 . . . . 0.0 112.789 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.89 -42.91 97.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.758 0.823 . . . . 0.0 110.781 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mm -70.35 -53.32 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 123.226 0.61 . . . . 0.0 110.901 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -38.22 72.36 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.93 176.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -62.21 -52.37 64.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.735 1.214 . . . . 0.0 111.977 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 tt -66.47 -32.65 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 118.921 0.782 . . . . 0.0 112.132 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mtt -66.61 -51.49 55.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.965 0.802 . . . . 0.0 113.133 174.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.87 -38.79 83.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.357 0.98 . . . . 0.0 111.775 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.78 -49.74 67.25 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.425 -0.797 . . . . 0.0 113.116 171.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -55.02 -48.19 73.7 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.286 0.948 . . . . 0.0 111.548 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.91 -48.55 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.965 0.906 . . . . 0.0 111.011 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -64.7 -50.53 66.58 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.057 0.943 . . . . 0.0 113.402 -177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.3 mm -74.94 -53.83 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.931 1.692 . . . . 0.0 111.679 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 t -88.14 -20.43 25.65 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.5 1.12 . . . . 0.0 113.916 -171.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.61 -12.67 68.46 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 125.884 1.707 . . . . 0.0 115.348 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.6 p -149.88 154.96 39.2 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.867 1.667 . . . . 0.0 111.837 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -78.58 168.05 20.34 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.338 1.055 . . . . 0.0 112.677 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -61.06 155.2 20.86 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.394 1.477 . . . . 0.0 112.988 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -126.95 -4.97 6.28 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.482 1.513 . . . . 0.0 114.778 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.6 t -143.72 149.09 36.65 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.748 1.619 . . . . 0.0 110.151 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.6 -30.9 70.98 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 118.944 -0.55 . . . . 0.0 111.564 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -55.62 -55.48 31.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.525 1.13 . . . . 0.0 112.396 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.63 -37.63 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.273 0.629 . . . . 0.0 111.801 175.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -56.29 24.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.306 1.042 . . . . 0.0 111.447 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.78 -33.02 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.308 1.043 . . . . 0.0 112.815 -175.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.63 70.93 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.838 0.855 . . . . 0.0 111.517 171.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.14 -36.21 83.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 118.713 -0.66 . . . . 0.0 112.299 176.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.0 mt -56.47 -60.59 3.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.288 1.035 . . . . 0.0 111.764 173.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -58.51 -39.2 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 119.34 0.973 . . . . 0.0 111.912 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.91 -49.12 78.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.222 1.009 . . . . 0.0 112.743 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.3 -27.77 66.59 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.564 1.146 . . . . 0.0 113.388 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 124.701 1.2 . . . . 0.0 113.42 173.218 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.8 m -63.72 -24.93 67.97 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.023 -1.048 . . . . 0.0 113.026 170.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.85 -49.6 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.244 1.017 . . . . 0.0 110.236 170.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -70.06 -44.36 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.064 0.946 . . . . 0.0 112.635 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -71.92 -17.42 62.1 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -129.17 96.4 28.56 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.45 1.1 . . . . 0.0 111.228 -171.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.21 -16.42 48.58 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.392 2.728 . . . . 0.0 114.712 -167.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtp -60.01 -20.12 56.1 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.988 1.315 . . . . 0.0 113.471 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.88 -57.74 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 123.87 0.868 . . . . 0.0 110.858 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -55.23 -39.79 70.1 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.583 0.628 . . . . 0.0 112.202 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -60.76 -40.05 91.05 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.368 1.467 . . . . 0.0 113.209 174.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.78 63.31 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.48 -0.763 . . . . 0.0 112.191 175.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -55.2 -41.04 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.419 1.008 . . . . 0.0 111.32 174.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 -59.87 -24.03 63.91 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.8 mtm -78.63 -11.74 59.98 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 171.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.01 -4.27 9.74 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.71 1.624 . . . . 0.0 115.823 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -69.68 166.34 19.36 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.094 1.447 . . . . 0.0 113.201 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 m -91.53 142.76 27.3 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.455 1.102 . . . . 0.0 112.173 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -51.05 -46.32 61.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.034 0.934 . . . . 0.0 112.739 172.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -64.27 -12.83 45.14 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -96.41 -35.42 11.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.07 0.85 . . . . 0.0 112.247 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mm -68.36 -50.01 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 119.464 1.029 . . . . 0.0 111.169 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -44.22 75.14 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.794 -0.566 . . . . 0.0 111.369 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -64.46 -54.16 36.88 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.366 1.466 . . . . 0.0 111.444 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 tt -62.44 -35.19 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 118.543 0.611 . . . . 0.0 111.99 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.3 mtt -66.63 -53.99 28.12 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.073 0.852 . . . . 0.0 113.169 173.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.49 -35.37 75.76 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.925 1.239 . . . . 0.0 112.323 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.67 -49.76 67.41 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.276 1.031 . . . . 0.0 111.768 172.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -54.83 -49.63 70.56 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.347 1.459 . . . . 0.0 112.188 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.6 mt -59.66 -45.25 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.74 0.816 . . . . 0.0 110.617 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -63.67 -50.83 67.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.267 1.027 . . . . 0.0 112.787 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.9 mm -72.88 -51.53 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.703 1.601 . . . . 0.0 112.307 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 t -92.23 -40.45 10.96 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.171 1.389 . . . . 0.0 113.556 -170.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.8 -15.76 13.97 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 125.763 1.649 . . . . 0.0 115.427 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.0 m -139.32 147.27 41.36 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.897 1.679 . . . . 0.0 111.009 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -74.2 166.68 23.02 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.235 0.541 . . . . 0.0 111.96 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -65.06 141.52 58.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.625 1.17 . . . . 0.0 112.266 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -121.37 -5.13 9.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.905 1.682 . . . . 0.0 115.238 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 m -136.14 145.52 45.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.752 1.221 . . . . 0.0 110.97 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 mp -55.87 -46.66 78.23 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.468 1.107 . . . . 0.0 111.172 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.55 -55.35 19.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.286 1.435 . . . . 0.0 112.996 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.34 -38.32 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 122.975 0.51 . . . . 0.0 112.146 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -55.67 29.08 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.774 0.829 . . . . 0.0 110.658 177.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.69 -34.99 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.023 0.929 . . . . 0.0 112.875 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.21 82.83 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.571 0.748 . . . . 0.0 111.506 171.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -64.72 -38.57 91.43 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.998 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.8 mt -57.51 -57.03 14.49 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 120.045 1.293 . . . . 0.0 112.411 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 m -63.87 -20.33 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -82.48 -49.47 9.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.176 0.99 . . . . 0.0 112.336 173.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.74 71.81 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.232 1.413 . . . . 0.0 113.698 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 176.247 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 . . . . . 0 CA--C 1.545 0.775 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.0 m -55.07 -29.99 58.7 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.55 1.54 . . . . 0.0 113.192 168.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.09 -42.58 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.481 1.112 . . . . 0.0 110.911 173.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -76.56 -41.39 46.67 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.607 0.763 . . . . 0.0 112.46 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -69.64 -20.32 63.6 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.85 95.47 31.82 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.096 1.358 . . . . 0.0 111.501 -168.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.37 -18.77 49.97 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.32 2.68 . . . . 0.0 114.28 -170.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.5 mtp -59.02 -23.22 61.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.391 1.476 . . . . 0.0 112.961 171.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.52 -58.49 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.15 0.98 . . . . 0.0 110.823 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -46.85 -48.33 21.02 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.248 1.419 . . . . 0.0 112.05 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -60.6 -40.59 92.34 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.868 1.667 . . . . 0.0 113.427 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.9 77.66 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.068 -1.02 . . . . 0.0 112.303 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -55.44 -41.77 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 119.46 1.027 . . . . 0.0 111.138 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -56.33 -33.97 66.12 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.3 mtm -67.09 -22.04 65.84 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.73 2.7 5.22 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.304 1.43 . . . . 0.0 116.327 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -72.78 167.89 19.94 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.018 1.409 . . . . 0.0 113.217 173.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.0 m -91.83 139.31 30.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.642 1.577 . . . . 0.0 112.202 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -49.66 -48.99 49.02 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.647 1.179 . . . . 0.0 113.443 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -50.79 -50.55 55.9 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.62 1.568 . . . . 0.0 111.936 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -62.2 -43.28 99.18 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.327 0.651 . . . . 0.0 112.38 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.3 mm -64.56 -51.88 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.471 0.578 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -34.48 77.73 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.836 -0.54 . . . . 0.0 111.813 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -65.54 -50.93 63.38 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.109 1.363 . . . . 0.0 111.012 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 tt -64.79 -36.93 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 118.951 -0.547 . . . . 0.0 112.07 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmt -58.85 -56.84 17.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.116 0.967 . . . . 0.0 112.409 172.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.47 -40.39 94.35 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.786 0.721 . . . . 0.0 112.442 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -45.76 83.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.243 0.929 . . . . 0.0 113.039 172.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -55.19 -52.31 63.74 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.909 1.231 . . . . 0.0 111.331 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.0 mt -62.55 -44.83 99.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 123.653 0.781 . . . . 0.0 110.856 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -62.61 -43.99 97.43 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.2 mm -81.26 -51.92 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.136 1.374 . . . . 0.0 111.654 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -86.16 -25.73 25.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.755 1.222 . . . . 0.0 114.136 -172.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.85 -5.45 69.23 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.392 1.472 . . . . 0.0 115.682 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -145.71 166.57 25.46 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.329 1.452 . . . . 0.0 112.682 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -77.37 166.96 22.46 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.444 1.098 . . . . 0.0 113.044 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -56.24 141.08 42.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.768 1.627 . . . . 0.0 113.365 172.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -69.14 -55.43 10.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.754 1.221 . . . . 0.0 112.532 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.2 m -148.41 169.96 19.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.869 2.068 . . . . 0.0 110.646 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.36 -34.87 67.06 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.393 0.677 . . . . 0.0 112.209 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -49.64 -50.32 43.64 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.802 1.241 . . . . 0.0 112.772 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.6 t -71.13 -40.94 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.12 0.968 . . . . 0.0 110.801 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -56.57 20.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.766 1.226 . . . . 0.0 111.309 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.9 -32.96 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.755 1.222 . . . . 0.0 112.86 -177.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.3 -53.6 50.26 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.636 0.774 . . . . 0.0 111.645 171.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -60.93 -36.97 80.73 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.756 -0.59 . . . . 0.0 111.901 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -56.86 -61.69 2.26 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.718 1.207 . . . . 0.0 112.56 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.75 -35.01 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.029 0.831 . . . . 0.0 111.965 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -68.42 -43.2 77.71 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.003 0.921 . . . . 0.0 112.802 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.36 83.53 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.081 0.952 . . . . 0.0 112.298 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 . . . . . 0 CA--C 1.55 0.962 0 C-N-CA 126.005 1.722 . . . . 0.0 114.646 176.552 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.454 0 CA-C-O 119.421 -0.655 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -78.12 161.56 27.3 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 118.585 1.192 . . . . 0.0 113.104 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.01 -25.86 11.42 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.884 1.274 . . . . 0.0 114.0 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.2 tpt -126.71 156.21 41.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.36 1.464 . . . . 0.0 111.562 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.89 77.82 4.39 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.149 1.38 . . . . 0.0 113.228 -174.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -72.93 -26.21 61.32 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tp -67.08 -25.88 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.429 1.092 . . . . 0.0 113.401 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.92 114.12 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.717 1.151 . . . . 0.0 112.403 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 t -118.82 -40.85 2.82 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.171 1.388 . . . . 0.0 112.729 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -121.48 -29.7 4.38 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.659 1.184 . . . . 0.0 113.944 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 50.07 30.02 3.89 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 126.271 1.828 . . . . 0.0 113.889 -176.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -69.57 -52.41 26.39 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.731 -1.231 . . . . 0.0 111.751 -174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -79.74 157.93 27.02 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.235 1.414 . . . . 0.0 111.57 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.0 p -124.5 157.56 64.79 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 125.955 1.702 . . . . 0.0 112.517 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -72.62 -21.35 22.19 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 123.218 2.612 . . . . 0.0 113.84 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.4 p -147.4 158.0 43.8 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.969 1.708 . . . . 0.0 111.344 171.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.0 tp -155.69 120.91 4.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.412 1.485 . . . . 0.0 110.005 175.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.7 m -139.65 143.32 37.12 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.489 1.116 . . . . 0.0 111.234 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -70.14 -15.36 62.95 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.3 ttm105 -89.78 133.63 34.61 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.467 1.907 . . . . 0.0 111.078 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.0 pt -72.79 -175.82 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 125.086 1.354 . . . . 0.0 112.015 168.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.405 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 8.5 t70 -120.16 134.27 55.3 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.685 1.194 . . . . 0.0 111.853 174.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -62.45 -16.42 55.13 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.5 m -69.84 -25.26 63.66 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.825 -1.172 . . . . 0.0 112.726 174.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.13 -49.25 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.118 0.967 . . . . 0.0 110.5 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -72.81 -44.35 61.59 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -70.74 -19.37 62.74 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -174.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -131.76 96.21 21.17 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 124.535 1.134 . . . . 0.0 111.926 -171.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.32 -13.96 39.03 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 123.681 2.921 . . . . 0.0 115.192 -166.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.9 mtp -57.64 -24.74 58.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.525 1.13 . . . . 0.0 112.939 171.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.14 -56.36 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 123.834 0.854 . . . . 0.0 111.248 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.24 -37.4 74.84 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -61.59 -38.67 88.43 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.204 1.002 . . . . 0.0 112.731 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.86 -52.89 61.36 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.61 -0.681 . . . . 0.0 112.059 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.57 -41.34 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.503 1.047 . . . . 0.0 111.596 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.72 -26.69 57.61 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.819 1.247 . . . . 0.0 114.227 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.8 mtm -78.33 -10.29 59.61 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.34 -2.39 14.14 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.872 1.701 . . . . 0.0 115.436 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -67.95 163.09 22.91 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.219 1.51 . . . . 0.0 112.755 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 m -88.55 143.18 27.12 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.219 1.408 . . . . 0.0 112.057 176.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -53.47 -46.14 69.84 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.962 0.905 . . . . 0.0 113.098 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -45.67 70.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.638 1.575 . . . . 0.0 112.327 176.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -43.19 99.31 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.48 0.712 . . . . 0.0 111.629 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.75 -49.03 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 118.022 0.374 . . . . 0.0 111.718 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -58.29 -38.76 77.67 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.102 0.865 . . . . 0.0 111.746 175.074 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -50.75 66.26 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.275 1.03 . . . . 0.0 111.71 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 tt -66.56 -37.57 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 118.331 0.514 . . . . 0.0 112.018 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.8 mmt -60.58 -59.03 6.05 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.948 0.899 . . . . 0.0 111.919 173.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.41 -40.34 82.18 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.138 0.881 . . . . 0.0 112.32 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -66.85 -46.76 74.03 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.937 0.895 . . . . 0.0 112.129 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -57.88 -48.69 79.1 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.005 0.922 . . . . 0.0 112.151 175.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.4 mt -63.24 -44.8 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.835 0.854 . . . . 0.0 110.784 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -59.79 -43.07 94.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.416 1.086 . . . . 0.0 113.058 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 mm -84.11 -52.89 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 124.744 1.217 . . . . 0.0 112.259 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.2 t -85.15 -33.44 22.33 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.916 1.286 . . . . 0.0 114.018 -173.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.27 -12.12 28.65 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.864 1.697 . . . . 0.0 115.616 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -150.6 169.46 21.5 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.191 1.495 . . . . 0.0 113.52 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.21 170.38 8.74 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.428 1.491 . . . . 0.0 112.913 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -62.41 149.21 43.12 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.85 1.26 . . . . 0.0 113.146 171.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -72.4 -53.38 12.42 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.659 1.583 . . . . 0.0 113.031 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.44 164.84 32.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.058 1.743 . . . . 0.0 110.979 -175.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.72 -35.29 72.43 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 118.726 -0.654 . . . . 0.0 112.094 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -49.2 -52.2 28.26 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.823 1.249 . . . . 0.0 112.664 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.57 -42.3 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.861 0.864 . . . . 0.0 110.988 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -55.62 32.39 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.036 0.934 . . . . 0.0 111.451 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.3 m -69.67 -34.14 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.596 1.159 . . . . 0.0 113.041 -176.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.91 -49.63 75.42 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.573 0.749 . . . . 0.0 111.409 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.14 -35.31 80.13 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.2 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.73 -57.66 11.77 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.665 1.121 . . . . 0.0 112.445 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.7 m -60.65 -40.16 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 118.725 0.693 . . . . 0.0 111.616 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.41 -51.99 67.53 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.896 0.771 . . . . 0.0 112.255 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.7 91.58 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.937 0.895 . . . . 0.0 113.136 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -71.72 -31.82 67.13 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -69.49 -59.91 2.67 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.726 1.21 . . . . 0.0 112.511 173.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -140.35 92.05 2.49 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.552 1.541 . . . . 0.0 112.717 -170.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.7 t -149.05 164.42 34.7 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.633 1.573 . . . . 0.0 111.07 170.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.1 mmt -133.53 144.18 49.21 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.019 2.128 . . . . 0.0 110.042 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -146.06 164.73 31.2 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.886 1.274 . . . . 0.0 112.223 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -136.09 93.58 2.93 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.658 1.583 . . . . 0.0 110.73 -173.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -123.79 52.37 1.45 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.432 1.493 . . . . 0.0 111.73 -174.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.2 t -65.94 -60.04 3.24 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.429 1.092 . . . . 0.0 112.134 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.7 m -88.54 84.81 6.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.179 1.391 . . . . 0.0 111.742 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -101.79 140.27 36.3 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.962 1.305 . . . . 0.0 111.652 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.9 p -91.18 90.9 7.99 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.585 1.554 . . . . 0.0 111.653 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.4 t -75.46 71.28 2.39 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.3 1.04 . . . . 0.0 111.411 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -137.59 147.03 44.72 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.736 2.015 . . . . 0.0 111.174 -175.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -151.67 164.53 36.74 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.417 1.487 . . . . 0.0 112.435 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -106.53 -3.58 20.67 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.821 1.649 . . . . 0.0 113.32 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.57 145.49 52.52 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.646 1.178 . . . . 0.0 111.941 175.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.6 tt -78.97 149.79 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.951 1.3 . . . . 0.0 111.645 173.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 t -86.04 71.48 10.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.117 0.96 . . . . 0.0 111.308 170.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.5 p -68.5 -21.85 64.57 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 120.75 -1.219 . . . . 0.0 113.313 172.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.36 -33.43 75.94 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.974 0.806 . . . . 0.0 112.304 173.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -67.18 -32.33 73.33 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.233 -0.917 . . . . 0.0 112.545 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -62.97 -22.42 66.8 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.43 -21.59 62.44 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.124 0.969 . . . . 0.0 112.856 175.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -56.99 -23.72 48.19 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.324 1.049 . . . . 0.0 113.768 175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -66.65 -26.14 66.91 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.595 1.558 . . . . 0.0 112.906 175.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.85 -40.75 16.75 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.56 1.544 . . . . 0.0 111.504 177.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.32 99.78 0.11 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.899 1.279 . . . . 0.0 112.678 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -72.88 -30.95 64.35 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.264 1.026 . . . . 0.0 112.932 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -82.23 95.24 7.49 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.318 1.447 . . . . 0.0 111.183 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -149.51 145.94 27.12 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.303 1.441 . . . . 0.0 111.116 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.254 1.296 0 C-N-CA 125.23 1.412 . . . . 0.0 111.86 174.307 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.984 -0.446 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.9 p -68.58 171.36 7.69 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.556 1.142 . . . . 0.0 112.602 169.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.66 171.62 14.09 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.47 1.508 . . . . 0.0 111.822 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -123.43 165.57 16.83 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.745 1.618 . . . . 0.0 111.723 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.04 152.72 47.61 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.09 1.356 . . . . 0.0 111.961 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -105.64 67.26 0.76 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.111 1.364 . . . . 0.0 111.426 -172.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 pt -68.2 -20.46 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.37 45.06 2.78 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.908 1.718 . . . . 0.0 114.273 -175.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.7 p -95.98 -27.49 15.11 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.092 1.357 . . . . 0.0 114.077 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -80.1 173.06 12.97 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.137 1.375 . . . . 0.0 111.97 173.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.0 t80 60.48 16.2 6.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.15 1.78 . . . . 0.0 114.673 178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -58.44 -47.68 83.2 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.997 1.719 . . . . 0.0 113.184 -172.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -111.84 133.58 53.96 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.782 1.633 . . . . 0.0 110.439 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 p -66.28 158.99 75.12 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 125.512 1.525 . . . . 0.0 112.645 176.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.86 152.05 73.84 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.383 2.055 . . . . 0.0 111.884 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 t -70.22 165.49 22.05 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.538 1.135 . . . . 0.0 112.424 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.06 101.71 3.34 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.682 1.593 . . . . 0.0 111.43 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.97 126.58 27.83 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.968 1.307 . . . . 0.0 111.29 175.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -68.57 -35.53 77.52 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.537 0.735 . . . . 0.0 112.686 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -61.32 112.61 2.23 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.914 2.086 . . . . 0.0 110.934 173.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.0 tp -62.55 137.92 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.478 0.711 . . . . 0.0 110.383 169.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -86.66 125.62 33.98 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.418 -0.801 . . . . 0.0 111.452 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -57.37 -22.36 42.11 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 175.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 m -61.71 -30.88 71.05 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.883 1.273 . . . . 0.0 112.456 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.21 -46.3 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.08 1.352 . . . . 0.0 110.331 174.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -71.7 -45.32 62.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.669 0.788 . . . . 0.0 112.298 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -72.55 -18.51 61.62 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -172.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -132.14 96.8 19.13 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 124.288 1.035 . . . . 0.0 112.021 -172.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.79 -15.29 43.86 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.496 2.797 . . . . 0.0 115.199 -166.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 42.7 mtp -57.5 -23.43 50.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.792 1.237 . . . . 0.0 113.1 172.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -56.51 -54.59 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.34 1.056 . . . . 0.0 111.127 176.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -57.23 -40.57 77.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.406 0.683 . . . . 0.0 112.05 -176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.4 -36.9 85.25 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.149 1.38 . . . . 0.0 113.048 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.43 -52.78 60.04 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.265 -0.897 . . . . 0.0 111.908 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -56.5 -39.68 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.264 0.938 . . . . 0.0 111.59 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -55.81 -32.92 63.96 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.213 1.005 . . . . 0.0 113.66 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.3 mtm -74.19 -10.29 59.46 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.3 -2.99 14.09 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.753 1.644 . . . . 0.0 115.568 176.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -68.86 161.98 27.46 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.028 1.414 . . . . 0.0 112.946 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.1 m -86.97 138.86 31.16 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.425 1.49 . . . . 0.0 112.147 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.61 -47.98 58.04 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.162 0.985 . . . . 0.0 112.956 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -30.64 68.92 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.306 1.043 . . . . 0.0 113.613 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -79.19 -33.64 43.72 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.725 -0.655 . . . . 0.0 112.475 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -69.35 -50.04 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-N 119.343 0.974 . . . . 0.0 111.081 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -41.94 79.48 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 118.713 -0.66 . . . . 0.0 111.588 175.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -60.67 -54.61 43.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.244 1.018 . . . . 0.0 111.935 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.7 tt -64.84 -37.29 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 118.532 0.606 . . . . 0.0 112.24 -177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.9 mtt -67.34 -50.69 58.93 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.244 0.929 . . . . 0.0 112.781 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -59.72 -40.22 87.28 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.756 1.162 . . . . 0.0 111.767 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -66.77 -45.73 77.55 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.557 1.143 . . . . 0.0 112.129 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -54.32 -52.93 59.96 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.168 1.387 . . . . 0.0 111.784 173.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -60.67 -46.68 95.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.879 0.872 . . . . 0.0 110.612 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -60.17 -40.64 90.65 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.042 0.937 . . . . 0.0 112.978 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.4 mm -82.43 -55.74 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.974 1.31 . . . . 0.0 112.047 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 t -77.92 -38.27 45.91 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.749 1.22 . . . . 0.0 113.776 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.26 -12.17 51.67 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 126.081 1.8 . . . . 0.0 114.73 -175.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.5 m -137.9 157.41 46.46 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.178 1.791 . . . . 0.0 111.741 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -85.47 171.67 11.6 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.205 1.002 . . . . 0.0 112.244 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -63.57 156.55 26.22 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.235 1.414 . . . . 0.0 112.964 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -127.74 -17.48 4.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.783 1.633 . . . . 0.0 115.349 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.0 m -140.76 150.17 43.05 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.829 1.651 . . . . 0.0 110.057 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.09 -33.49 75.56 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.737 -0.649 . . . . 0.0 111.993 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -50.49 -55.63 15.17 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.679 1.191 . . . . 0.0 112.77 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.8 m -65.76 -36.42 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -56.26 19.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.435 0.694 . . . . 0.0 110.883 178.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.5 m -70.35 -33.31 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.648 1.179 . . . . 0.0 113.131 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.67 -51.23 68.03 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.494 0.717 . . . . 0.0 111.457 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -33.77 76.66 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.499 -0.762 . . . . 0.0 112.005 177.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.9 mt -56.72 -61.01 2.72 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.835 1.198 . . . . 0.0 112.1 170.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -60.42 -30.66 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 119.454 1.025 . . . . 0.0 112.753 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -72.69 -41.93 64.77 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.737 0.815 . . . . 0.0 112.747 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.37 -27.82 65.65 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.35 1.06 . . . . 0.0 113.156 175.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -72.34 -10.6 60.0 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.334 1.454 . . . . 0.0 114.009 173.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -67.07 168.93 9.23 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.523 1.056 . . . . 0.0 112.285 171.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.5 t0 57.18 21.14 6.24 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.383 1.873 . . . . 0.0 114.266 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.0 t -98.25 -52.57 3.62 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.164 1.785 . . . . 0.0 112.197 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 99.0 mmm -66.21 147.48 53.26 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.277 1.031 . . . . 0.0 112.366 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -146.14 125.2 12.84 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.535 1.534 . . . . 0.0 110.637 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.34 113.26 5.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.511 1.124 . . . . 0.0 111.205 172.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.38 -15.39 62.85 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -118.25 171.23 8.26 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.726 2.01 . . . . 0.0 111.701 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.4 m -111.6 28.93 8.29 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.045 1.738 . . . . 0.0 112.683 -172.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -58.22 -22.01 50.23 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.8 p -65.4 -59.97 3.45 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.531 1.932 . . . . 0.0 113.119 175.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.7 m 47.63 35.44 4.44 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.694 1.998 . . . . 0.0 114.571 -173.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -139.86 169.89 16.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.542 1.537 . . . . 0.0 112.915 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -126.97 -56.04 1.36 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.716 1.606 . . . . 0.0 111.791 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -133.72 164.49 27.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.934 2.094 . . . . 0.0 111.55 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.95 143.47 35.0 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.035 1.734 . . . . 0.0 111.673 176.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 13.3 tt -90.06 -7.66 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.921 1.289 . . . . 0.0 113.11 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.9 m -119.56 103.65 9.61 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.461 1.904 . . . . 0.0 110.337 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.4 m -55.07 -31.86 61.48 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.717 1.207 . . . . 0.0 112.686 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.4 mp0 -57.74 -27.46 63.02 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.046 1.739 . . . . 0.0 113.144 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.46 -37.79 85.92 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.992 0.917 . . . . 0.0 111.32 174.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -65.2 -36.01 82.85 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.281 -0.887 . . . . 0.0 112.268 176.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.43 -48.41 77.89 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.614 0.766 . . . . 0.0 111.408 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -23.0 64.58 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 175.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -70.47 -29.88 66.55 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.121 1.368 . . . . 0.0 112.79 174.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 45.2 tp -60.81 -51.34 69.72 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.192 0.997 . . . . 0.0 112.387 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -71.71 157.14 38.47 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.629 0.772 . . . . 0.0 112.916 176.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -89.39 101.03 13.71 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.642 1.177 . . . . 0.0 110.749 173.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.57 107.79 1.23 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.764 1.225 . . . . 0.0 110.793 175.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -123.71 110.45 14.97 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.259 1.824 . . . . 0.0 111.32 -174.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 C--O 1.254 1.296 0 C-N-CA 126.391 1.877 . . . . 0.0 111.915 175.458 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.178 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -78.0 168.24 20.21 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.957 0.903 . . . . 0.0 112.321 174.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.53 160.05 43.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.646 1.578 . . . . 0.0 112.258 174.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 85.8 mmm -78.51 105.95 10.13 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.113 1.365 . . . . 0.0 110.455 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.64 134.84 51.87 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.794 0.838 . . . . 0.0 111.969 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -138.68 88.89 2.33 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.676 1.59 . . . . 0.0 111.306 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 pt -86.45 -9.13 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.788 1.235 . . . . 0.0 113.946 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.63 117.94 0.62 Allowed Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.205 1.383 . . . . 0.0 112.149 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.3 t -101.19 -74.27 0.62 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.952 1.301 . . . . 0.0 111.317 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -152.99 160.29 43.0 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.408 1.483 . . . . 0.0 112.177 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -156.15 145.93 21.12 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.687 1.595 . . . . 0.0 110.424 173.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -137.33 177.03 8.18 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.066 1.746 . . . . 0.0 111.49 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 145.42 19.3 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.428 1.091 . . . . 0.0 112.328 175.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 p -130.21 159.24 71.34 Favored Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 127.225 2.21 . . . . 0.0 111.451 -173.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.96 134.2 27.0 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.673 2.249 . . . . 0.0 112.917 -174.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.5 t -157.63 132.16 8.45 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.668 1.987 . . . . 0.0 109.786 170.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tt -94.35 -81.78 0.37 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.54 1.136 . . . . 0.0 109.432 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.0 m -146.23 145.76 30.53 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.225 1.81 . . . . 0.0 109.023 170.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -60.58 -12.04 8.86 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -67.61 -22.48 65.35 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.76 2.024 . . . . 0.0 115.236 -170.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.2 tt -72.24 -24.77 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.2 1.4 . . . . 0.0 112.99 171.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -95.7 87.7 4.77 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.959 -1.088 . . . . 0.0 112.917 -164.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.95 -24.32 51.98 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.421 1.088 . . . . 0.0 113.81 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.7 m -54.27 -35.22 62.31 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.123 1.769 . . . . 0.0 113.02 174.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.0 mt -67.56 -37.18 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.745 1.618 . . . . 0.0 111.617 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -77.59 -48.27 17.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.973 1.309 . . . . 0.0 112.242 -178.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -70.88 -19.53 62.61 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -130.15 96.03 26.33 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 124.439 1.096 . . . . 0.0 111.64 -170.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.55 -17.26 48.42 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.311 2.674 . . . . 0.0 115.028 -166.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.3 mtp -58.19 -22.72 52.86 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.67 1.188 . . . . 0.0 113.624 172.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.0 t -56.84 -56.83 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 123.677 0.791 . . . . 0.0 110.808 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -54.65 -39.64 68.23 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.857 1.263 . . . . 0.0 111.966 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.41 -36.54 84.48 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.764 1.226 . . . . 0.0 113.561 174.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.43 71.66 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.261 -0.9 . . . . 0.0 111.859 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.18 -40.7 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.242 0.928 . . . . 0.0 111.346 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -56.81 -30.75 64.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.27 1.028 . . . . 0.0 113.74 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.7 mtm -76.53 -10.97 59.78 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.11 -4.06 12.67 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.734 1.635 . . . . 0.0 115.619 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -68.42 162.86 24.53 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.273 1.537 . . . . 0.0 112.587 173.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 m -89.2 141.72 28.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.938 1.295 . . . . 0.0 112.16 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -50.12 -48.08 53.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.34 1.056 . . . . 0.0 113.111 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -29.44 70.22 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -179.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -75.36 -37.97 60.35 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.839 0.745 . . . . 0.0 111.925 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.79 -49.23 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 119.004 0.82 . . . . 0.0 111.173 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -40.98 76.77 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.681 -0.637 . . . . 0.0 111.657 174.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -48.6 71.71 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.75 1.22 . . . . 0.0 111.917 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 tt -67.86 -33.09 59.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.247 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.2 mtt -68.73 -51.21 43.94 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.475 1.034 . . . . 0.0 113.332 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.21 -37.73 75.39 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.929 1.24 . . . . 0.0 111.956 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -52.86 50.64 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.377 1.071 . . . . 0.0 111.437 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -51.66 -52.18 50.02 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.264 1.426 . . . . 0.0 111.777 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.67 -49.62 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.552 0.741 . . . . 0.0 110.649 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -62.34 -39.01 91.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.208 1.003 . . . . 0.0 113.625 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.7 mm -85.31 -52.4 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.421 1.489 . . . . 0.0 111.872 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 t -87.7 -26.79 22.78 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.558 1.543 . . . . 0.0 114.237 -171.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.12 -6.56 72.5 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.614 1.578 . . . . 0.0 115.638 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.7 p -144.42 148.03 34.11 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.839 1.656 . . . . 0.0 111.673 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -77.76 168.08 20.52 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.231 0.612 . . . . 0.0 111.848 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -65.14 140.84 58.83 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.787 1.235 . . . . 0.0 112.384 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -114.67 -13.22 12.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.099 1.76 . . . . 0.0 114.876 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.1 m -134.63 145.99 49.12 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.513 1.525 . . . . 0.0 110.912 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.55 -39.25 87.26 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.275 0.63 . . . . 0.0 112.028 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.1 -57.0 10.9 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.154 1.382 . . . . 0.0 112.832 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.74 -36.67 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.298 0.639 . . . . 0.0 112.094 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -56.91 16.02 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.308 1.043 . . . . 0.0 110.887 176.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 m -72.22 -33.44 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.153 0.981 . . . . 0.0 112.911 -174.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.25 82.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.686 0.795 . . . . 0.0 111.418 170.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -65.39 -38.1 88.97 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.637 -0.697 . . . . 0.0 112.17 175.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.9 mt -56.75 -54.13 49.78 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.786 1.175 . . . . 0.0 112.405 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.6 m -63.18 -39.31 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 118.776 0.716 . . . . 0.0 112.095 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -62.31 -41.69 98.73 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.831 0.852 . . . . 0.0 112.625 175.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.11 -54.58 23.87 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.731 1.212 . . . . 0.0 112.135 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -66.37 -20.1 65.98 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -64.93 -20.12 66.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.216 1.407 . . . . 0.0 114.027 168.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.5 91.83 3.64 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.82 1.648 . . . . 0.0 111.354 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.7 p -106.19 179.23 4.33 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.046 2.139 . . . . 0.0 112.498 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -129.83 167.53 17.99 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.158 1.783 . . . . 0.0 112.414 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -60.8 105.71 0.49 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.863 1.665 . . . . 0.0 111.924 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -143.93 137.03 27.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.774 1.63 . . . . 0.0 110.947 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -144.67 133.47 22.41 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.035 1.334 . . . . 0.0 111.808 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.5 p -152.84 155.49 37.2 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.042 0.937 . . . . 0.0 112.908 169.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 66.6 m -119.63 89.68 3.18 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.54 1.536 . . . . 0.0 110.725 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -117.89 3.83 12.19 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.463 1.505 . . . . 0.0 114.331 -177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.2 p -65.93 142.97 57.7 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.939 1.296 . . . . 0.0 112.689 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.4 p -148.61 125.42 11.2 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.305 1.442 . . . . 0.0 111.327 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.96 153.79 26.08 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.318 1.047 . . . . 0.0 110.963 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -139.48 -66.11 0.47 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.104 1.362 . . . . 0.0 111.777 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -135.62 169.46 17.49 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.899 2.079 . . . . 0.0 111.636 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -118.48 57.21 0.86 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.863 1.665 . . . . 0.0 111.032 -174.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 49.1 mt -128.65 90.57 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.779 1.632 . . . . 0.0 109.904 -171.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.0 m -146.2 102.96 3.67 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.515 1.526 . . . . 0.0 111.525 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.2 t -61.88 -24.22 66.8 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -76.56 -30.5 57.08 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.206 -0.934 . . . . 0.0 112.862 172.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -80.06 -25.55 40.05 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.309 -0.869 . . . . 0.0 112.509 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -60.24 -17.72 43.84 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -176.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.45 -29.5 66.22 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.94 1.296 . . . . 0.0 112.562 169.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.48 -19.91 63.74 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.13 1.372 . . . . 0.0 113.571 173.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -66.72 -41.19 88.33 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.238 1.015 . . . . 0.0 111.06 172.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.58 -62.01 1.55 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.408 1.483 . . . . 0.0 110.348 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -87.98 71.55 9.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.183 0.993 . . . . 0.0 110.509 178.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.1 169.79 16.26 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.672 1.189 . . . . 0.0 113.19 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.6 107.56 0.83 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.014 1.326 . . . . 0.0 112.982 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -65.25 -42.55 93.21 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.406 1.883 . . . . 0.0 113.581 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.617 1.967 . . . . 0.0 113.269 -178.06 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 m -82.41 79.99 8.71 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.234 1.413 . . . . 0.0 111.911 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.4 -67.54 0.42 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.903 1.281 . . . . 0.0 112.418 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 34.7 mtt -91.65 161.63 14.83 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.914 1.286 . . . . 0.0 111.38 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.8 160.08 44.11 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.285 1.434 . . . . 0.0 111.158 170.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -140.31 95.53 2.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.362 1.065 . . . . 0.0 111.213 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.15 52.63 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.607 1.963 . . . . 0.0 111.66 -171.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.13 120.18 0.94 Allowed Glycine 0 CA--C 1.533 1.188 0 O-C-N 121.187 -0.946 . . . . 0.0 113.428 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.1 m -134.81 133.49 39.85 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.427 1.491 . . . . 0.0 111.648 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -113.36 -19.66 11.65 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.404 1.482 . . . . 0.0 114.219 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -131.18 94.63 3.61 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.632 1.973 . . . . 0.0 109.876 177.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -86.29 140.56 29.97 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.646 0.778 . . . . 0.0 111.232 171.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -143.38 158.22 43.82 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.141 1.776 . . . . 0.0 110.144 173.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -116.42 140.35 26.48 Favored Pre-proline 0 N--CA 1.477 0.879 0 C-N-CA 125.025 1.33 . . . . 0.0 110.944 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -70.69 135.48 28.32 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.759 2.306 . . . . 0.0 111.985 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.1 m -87.78 76.69 8.74 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.699 1.2 . . . . 0.0 111.562 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 tt -80.29 -58.49 3.11 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.879 0.872 . . . . 0.0 111.531 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 m -116.07 149.84 38.29 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.622 1.569 . . . . 0.0 110.556 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.3 ptt-85 -73.85 -0.5 16.12 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.9 ttm-85 -59.0 144.35 45.47 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.549 1.54 . . . . 0.0 111.062 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.5 pt -122.09 176.33 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.942 1.697 . . . . 0.0 110.378 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.68 116.69 32.19 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.632 0.773 . . . . 0.0 110.917 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -58.63 -19.76 41.8 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.253 -0.905 . . . . 0.0 113.304 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.1 m -62.6 -25.74 68.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.209 1.004 . . . . 0.0 112.994 172.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mt -61.78 -48.76 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.347 1.059 . . . . 0.0 110.478 171.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -69.33 -44.3 71.97 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.119 0.568 . . . . 0.0 111.844 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -69.89 -22.64 63.21 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -125.29 96.89 38.32 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -171.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -66.98 -21.29 49.95 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.769 2.979 . . . . 0.0 114.137 -171.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 57.0 mtp -57.96 -23.11 52.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.762 1.225 . . . . 0.0 112.739 172.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.18 -59.08 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 123.35 0.66 . . . . 0.0 110.018 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -54.12 -42.57 69.61 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.626 0.77 . . . . 0.0 112.749 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -59.98 -41.48 92.1 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.555 1.142 . . . . 0.0 112.835 174.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.34 -55.48 33.08 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.887 0.767 . . . . 0.0 111.632 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -53.48 -41.77 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-N 120.269 1.395 . . . . 0.0 111.913 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -58.32 -25.74 62.24 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.552 1.141 . . . . 0.0 114.045 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.6 mtm -76.61 -3.98 40.58 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 171.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.68 9.64 28.32 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.527 1.537 . . . . 0.0 115.001 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -76.2 175.72 8.74 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 118.737 1.268 . . . . 0.0 112.873 171.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 m -104.8 135.94 45.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.529 1.932 . . . . 0.0 110.828 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -52.02 -45.43 64.59 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.311 0.96 . . . . 0.0 112.813 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -44.3 68.45 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.276 1.43 . . . . 0.0 112.714 173.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.28 -40.5 86.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.552 0.614 . . . . 0.0 111.454 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.2 mm -68.03 -49.63 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 118.348 0.522 . . . . 0.0 111.725 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -41.68 90.38 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.328 -0.858 . . . . 0.0 112.069 175.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -62.56 -49.01 76.98 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.048 1.339 . . . . 0.0 111.812 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.5 tt -66.3 -38.5 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.263 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -57.3 12.51 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.167 0.894 . . . . 0.0 111.932 174.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.81 -44.29 81.84 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.667 0.667 . . . . 0.0 111.64 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -64.14 -48.2 76.98 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.062 0.945 . . . . 0.0 112.593 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -52.12 -53.98 36.06 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.702 1.201 . . . . 0.0 111.094 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.9 mt -68.83 -38.83 79.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 123.216 0.606 . . . . 0.0 110.903 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -63.92 -40.58 96.81 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.28 1.032 . . . . 0.0 112.881 176.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.3 mm -83.87 -54.48 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.084 1.354 . . . . 0.0 111.763 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.6 t -75.16 -48.58 22.97 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.872 1.669 . . . . 0.0 113.179 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.23 -10.33 24.52 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 126.161 1.838 . . . . 0.0 115.145 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.4 p -142.69 158.91 43.17 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.682 1.593 . . . . 0.0 112.421 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -71.02 174.04 6.75 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 112.353 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -65.9 152.4 44.56 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.208 1.403 . . . . 0.0 112.715 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -83.41 -55.55 4.25 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.478 1.511 . . . . 0.0 112.416 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.5 m -143.57 166.78 23.88 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.389 1.876 . . . . 0.0 110.834 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.87 -34.88 70.23 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.928 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -48.08 -51.43 24.46 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.564 1.075 . . . . 0.0 112.965 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.41 -40.09 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 122.927 0.491 . . . . 0.0 111.046 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -58.54 7.87 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.86 0.864 . . . . 0.0 111.263 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.3 m -65.72 -37.12 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.949 1.7 . . . . 0.0 112.379 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.13 -52.71 63.74 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.646 0.657 . . . . 0.0 111.232 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -63.41 -36.21 82.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.594 -0.717 . . . . 0.0 111.731 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.34 -58.65 7.55 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.99 1.268 . . . . 0.0 111.952 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.2 m -62.06 -23.77 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 118.805 0.73 . . . . 0.0 112.956 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -87.06 -27.94 22.86 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.268 1.027 . . . . 0.0 113.72 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.84 -42.1 50.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.275 1.43 . . . . 0.0 111.922 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -63.47 -9.92 15.09 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -66.05 -25.18 66.93 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.791 1.237 . . . . 0.0 113.203 174.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -62.1 162.39 9.52 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.242 0.617 . . . . 0.0 111.483 171.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.4 p -62.01 155.6 23.45 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.376 -0.827 . . . . 0.0 112.012 176.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.0 ptm -140.8 170.72 15.22 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.459 1.104 . . . . 0.0 111.95 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -59.08 124.98 21.76 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.327 1.051 . . . . 0.0 110.493 175.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.33 126.05 26.54 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.274 1.03 . . . . 0.0 111.347 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -129.3 152.52 48.77 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.507 1.123 . . . . 0.0 112.555 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.7 m -103.73 153.12 21.04 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.212 1.405 . . . . 0.0 111.673 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.1 m -154.97 155.32 34.0 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.224 1.81 . . . . 0.0 110.772 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -139.14 87.66 2.22 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.69 1.196 . . . . 0.0 110.856 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.7 m -141.09 137.32 32.76 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.839 1.656 . . . . 0.0 110.322 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.2 m -140.35 171.09 14.63 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.398 1.879 . . . . 0.0 110.835 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.8 mt -116.3 158.03 24.05 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.283 1.433 . . . . 0.0 111.107 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -122.84 173.34 7.84 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.8 1.64 . . . . 0.0 111.572 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -121.67 152.03 39.81 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.175 1.79 . . . . 0.0 111.43 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -89.42 173.87 8.12 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.068 1.347 . . . . 0.0 112.98 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 39.1 mm -132.13 138.48 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.711 1.605 . . . . 0.0 110.319 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.5 m -100.67 84.68 2.78 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.646 1.579 . . . . 0.0 111.398 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.7 t -60.44 -24.29 65.1 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.346 1.059 . . . . 0.0 113.653 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.56 -35.87 75.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.849 1.26 . . . . 0.0 112.56 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -72.5 -28.86 63.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.99 0.916 . . . . 0.0 112.423 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -63.48 -37.96 89.29 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.854 0.861 . . . . 0.0 111.248 175.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.1 -36.71 73.29 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.092 1.357 . . . . 0.0 112.684 178.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -58.71 5.16 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.298 1.439 . . . . 0.0 109.928 174.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 45.2 ttm-85 -59.03 -23.79 62.27 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.379 1.472 . . . . 0.0 113.993 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -41.38 75.23 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.071 1.748 . . . . 0.0 112.225 172.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.45 89.47 0.35 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.37 1.068 . . . . 0.0 110.494 174.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -160.28 169.28 23.5 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.975 2.11 . . . . 0.0 110.098 175.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.34 157.92 35.53 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.737 1.615 . . . . 0.0 111.97 174.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -71.96 122.52 20.97 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.65 -0.656 . . . . 0.0 110.5 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.139 1.776 . . . . 0.0 110.704 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.085 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -59.11 146.72 37.67 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.353 1.461 . . . . 0.0 112.952 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.85 -175.03 4.97 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.847 1.659 . . . . 0.0 112.031 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.83 173.97 1.19 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.169 1.388 . . . . 0.0 112.159 169.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.71 150.72 9.2 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.862 1.265 . . . . 0.0 113.785 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.56 -14.2 49.01 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.754 1.622 . . . . 0.0 115.049 -169.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 tp -53.62 -43.96 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 125.032 1.333 . . . . 0.0 112.253 170.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.59 -94.46 0.05 OUTLIER Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.104 1.811 . . . . 0.0 113.827 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.6 m 53.76 30.28 10.97 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.929 2.092 . . . . 0.0 115.039 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.77 -24.01 63.45 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.379 1.072 . . . . 0.0 113.754 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.29 66.48 9.21 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.859 1.264 . . . . 0.0 111.956 -171.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -132.37 136.49 46.86 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.251 1.42 . . . . 0.0 112.552 -175.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -145.18 171.41 14.58 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.65 1.98 . . . . 0.0 112.506 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 p -79.2 159.17 73.4 Favored Pre-proline 0 N--CA 1.479 0.995 0 C-N-CA 125.966 1.706 . . . . 0.0 112.901 170.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -72.96 174.58 11.73 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.665 2.91 . . . . 0.0 112.86 171.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -119.07 -168.17 1.51 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.677 1.991 . . . . 0.0 111.74 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.12 98.83 0.08 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.075 1.75 . . . . 0.0 111.39 172.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.8 m -142.56 129.53 20.69 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.507 1.523 . . . . 0.0 110.241 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -71.84 -22.02 61.6 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -62.47 152.47 34.4 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.835 2.054 . . . . 0.0 111.859 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.1 pt -106.24 -178.86 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.837 1.655 . . . . 0.0 110.949 173.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -122.06 129.67 52.61 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.675 1.19 . . . . 0.0 111.139 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -61.26 -16.92 50.46 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.9 m -69.52 -21.85 63.63 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.786 -1.197 . . . . 0.0 112.835 171.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.11 -52.76 57.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.331 1.052 . . . . 0.0 110.199 170.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -69.98 -43.83 70.67 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -70.21 -18.21 63.16 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -131.76 93.34 28.11 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 124.219 1.008 . . . . 0.0 111.913 -170.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.61 -15.43 47.56 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.698 2.932 . . . . 0.0 115.085 -165.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.7 mtp -56.45 -23.73 40.8 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.296 1.438 . . . . 0.0 113.213 171.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.67 -58.08 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 124.633 1.173 . . . . 0.0 111.388 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -56.27 -38.99 71.93 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.781 0.832 . . . . 0.0 112.434 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -64.41 -33.85 76.81 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.75 1.22 . . . . 0.0 113.123 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.65 -51.56 58.57 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.098 -1.001 . . . . 0.0 112.078 173.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.33 -41.03 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.362 0.983 . . . . 0.0 111.34 175.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -55.02 -33.15 62.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.574 1.15 . . . . 0.0 113.855 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.8 mtm -75.37 -10.39 59.42 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.3 -3.52 13.92 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.481 1.515 . . . . 0.0 115.618 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -68.01 167.44 13.86 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.045 1.422 . . . . 0.0 112.13 171.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.3 m -101.31 143.47 31.33 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.74 1.216 . . . . 0.0 112.09 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.37 -46.86 56.26 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.56 1.144 . . . . 0.0 113.08 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -33.93 66.7 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.336 1.455 . . . . 0.0 113.756 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -76.17 -37.5 57.82 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.419 0.688 . . . . 0.0 112.319 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mm -69.31 -48.47 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 119.154 0.888 . . . . 0.0 111.113 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -40.92 84.74 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.692 -0.63 . . . . 0.0 111.83 175.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -53.18 60.51 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.951 1.7 . . . . 0.0 111.545 175.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 tt -67.33 -35.25 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 118.699 -0.667 . . . . 0.0 112.266 -177.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.7 mtt -67.98 -49.67 60.25 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.542 1.065 . . . . 0.0 112.89 174.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.54 -36.69 79.05 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.7 1.137 . . . . 0.0 111.936 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -53.78 39.58 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.044 0.937 . . . . 0.0 111.966 172.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -51.56 -51.86 51.94 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.385 1.474 . . . . 0.0 112.067 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -61.61 -48.31 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.65 0.78 . . . . 0.0 110.495 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -65.14 -35.12 80.09 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.4 mm -80.36 -61.38 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.431 1.492 . . . . 0.0 111.747 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -82.31 -25.96 33.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.197 1.399 . . . . 0.0 114.034 -168.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.02 -6.56 64.15 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.806 1.67 . . . . 0.0 115.284 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.5 p -144.13 162.15 37.02 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.774 1.63 . . . . 0.0 112.228 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -88.29 170.05 11.32 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.781 0.832 . . . . 0.0 111.901 175.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -61.24 150.74 33.68 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.435 1.494 . . . . 0.0 112.94 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -122.2 -17.6 7.11 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.7 m -143.11 150.2 39.15 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.166 1.786 . . . . 0.0 110.552 173.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.76 -38.73 79.12 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.357 0.663 . . . . 0.0 111.537 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -50.05 -48.04 53.13 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.955 1.302 . . . . 0.0 112.757 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.34 -44.7 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.056 0.942 . . . . 0.0 110.884 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -55.2 38.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.746 1.218 . . . . 0.0 111.127 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.53 -34.24 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.347 1.059 . . . . 0.0 112.932 -175.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.21 -49.06 77.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.485 0.714 . . . . 0.0 111.585 172.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -64.32 -39.29 93.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 118.817 -0.611 . . . . 0.0 112.0 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.0 mt -56.27 -55.41 33.63 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.37 1.068 . . . . 0.0 112.248 174.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -60.34 -44.5 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 118.972 0.805 . . . . 0.0 111.417 177.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -61.21 -37.76 84.16 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.002 0.819 . . . . 0.0 113.093 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.64 -43.35 69.39 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.773 1.229 . . . . 0.0 113.197 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -78.53 -24.58 45.65 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -64.07 166.91 7.01 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.369 1.468 . . . . 0.0 112.1 169.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.77 161.22 15.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.373 1.069 . . . . 0.0 112.908 171.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.9 m -72.78 77.21 1.13 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.279 1.432 . . . . 0.0 112.328 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 86.1 mmm -55.17 133.26 48.99 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.548 1.539 . . . . 0.0 111.713 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.7 160.16 19.69 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.224 1.81 . . . . 0.0 112.155 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -113.18 81.58 1.52 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.291 1.437 . . . . 0.0 111.329 -173.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -73.51 81.51 1.46 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.713 1.205 . . . . 0.0 111.054 176.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -60.86 -38.02 84.12 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.889 1.276 . . . . 0.0 112.449 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.2 m -60.52 118.66 6.78 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.826 1.65 . . . . 0.0 111.623 171.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.85 155.66 19.06 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.289 1.036 . . . . 0.0 112.713 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.2 m -61.84 104.51 0.46 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.606 1.562 . . . . 0.0 111.387 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.3 t -131.14 -42.37 1.09 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.621 1.568 . . . . 0.0 112.315 -176.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.79 151.73 49.5 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.326 1.85 . . . . 0.0 110.582 171.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -117.95 -5.37 11.02 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.133 1.373 . . . . 0.0 113.162 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -77.16 159.52 29.67 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.981 1.712 . . . . 0.0 112.887 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -153.64 174.5 14.4 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.422 2.289 . . . . 0.0 111.25 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 61.7 mt -120.85 103.36 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.2 1.4 . . . . 0.0 110.605 -175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.4 m -79.78 52.62 1.49 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.9 1.68 . . . . 0.0 113.448 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.1 t -59.24 -30.3 68.16 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 120.681 -1.262 . . . . 0.0 113.058 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.93 -33.09 74.94 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.958 1.303 . . . . 0.0 112.909 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -75.01 -35.74 61.96 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.855 0.862 . . . . 0.0 111.941 177.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -60.83 -32.47 71.85 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.693 -0.629 . . . . 0.0 112.144 173.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -52.3 66.07 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.067 0.947 . . . . 0.0 110.923 174.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -61.99 -35.65 79.16 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.593 1.157 . . . . 0.0 113.312 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -60.42 -52.72 64.03 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.041 1.336 . . . . 0.0 111.279 175.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -54.74 9.55 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.704 1.202 . . . . 0.0 111.779 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -82.41 85.97 6.81 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.568 1.547 . . . . 0.0 111.453 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -132.42 169.21 16.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.599 1.56 . . . . 0.0 113.092 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -112.2 145.62 39.57 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.756 1.622 . . . . 0.0 111.196 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.39 170.93 16.89 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.365 1.466 . . . . 0.0 113.075 176.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--O 1.254 1.341 0 C-N-CA 126.795 2.038 . . . . 0.0 114.72 -176.841 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p -61.54 135.89 57.82 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 122.0 -0.706 . . . . 0.0 111.473 168.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.49 164.52 33.92 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.166 1.386 . . . . 0.0 111.921 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.3 ptp -154.29 161.35 41.84 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.224 1.41 . . . . 0.0 112.565 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.6 163.98 37.88 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.062 1.745 . . . . 0.0 111.15 170.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -144.08 91.9 2.27 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.066 1.346 . . . . 0.0 110.837 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.41 7.3 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 126.332 1.853 . . . . 0.0 113.267 -174.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -111.68 72.07 0.21 Allowed Glycine 0 CA--C 1.532 1.095 0 C-N-CA 126.197 1.856 . . . . 0.0 112.989 -176.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m -72.2 6.78 2.01 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.722 1.609 . . . . 0.0 114.708 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -70.95 -14.64 62.44 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.841 2.056 . . . . 0.0 115.636 -172.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -72.96 79.16 1.17 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.96 1.304 . . . . 0.0 113.079 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -77.29 -67.46 0.71 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.858 1.263 . . . . 0.0 111.755 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -142.76 171.91 13.41 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.733 2.413 . . . . 0.0 111.261 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.1 p -130.77 158.6 74.4 Favored Pre-proline 0 N--CA 1.478 0.967 0 C-N-CA 126.294 1.838 . . . . 0.0 111.879 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.49 159.65 45.9 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.958 2.439 . . . . 0.0 113.342 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 m -98.25 -12.75 21.28 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.289 1.436 . . . . 0.0 113.879 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.82 108.03 1.36 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.489 1.516 . . . . 0.0 110.179 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 m -129.89 150.07 51.34 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.617 1.567 . . . . 0.0 110.573 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -69.29 -0.49 6.26 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -138.62 146.87 42.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 128.288 2.635 . . . . 0.0 111.565 -173.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.6 tp -60.45 156.52 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.119 1.768 . . . . 0.0 113.347 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.63 -10.98 59.28 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.326 1.45 . . . . 0.0 114.26 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -57.61 -22.82 47.53 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.604 1.562 . . . . 0.0 115.025 -168.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 m -58.78 -28.32 65.83 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.828 1.251 . . . . 0.0 113.149 173.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.8 mt -58.22 -45.28 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.144 1.378 . . . . 0.0 111.178 171.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.64 -44.13 57.7 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.93 0.892 . . . . 0.0 112.178 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -71.6 -19.52 62.12 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -171.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -134.21 101.34 12.41 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.34 1.056 . . . . 0.0 112.229 -170.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.82 -15.28 40.39 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.395 2.73 . . . . 0.0 115.332 -167.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.4 mtp -60.09 -21.61 61.71 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.077 0.951 . . . . 0.0 112.825 171.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -60.27 -58.33 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.827 0.851 . . . . 0.0 111.02 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.25 -36.97 71.63 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.031 0.832 . . . . 0.0 112.683 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -62.88 -29.39 70.73 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.306 1.442 . . . . 0.0 113.388 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.27 -53.86 17.62 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.974 -1.079 . . . . 0.0 111.599 170.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -53.75 -40.07 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.117 0.871 . . . . 0.0 112.354 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.89 -23.17 60.72 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 mtm -81.05 -8.94 59.88 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.72 -3.5 17.4 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.709 1.623 . . . . 0.0 115.47 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -67.09 164.47 17.84 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.132 1.466 . . . . 0.0 112.36 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.3 m -99.11 138.66 35.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.827 1.251 . . . . 0.0 112.173 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -47.88 -48.84 31.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.115 1.366 . . . . 0.0 113.388 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -30.47 66.88 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.951 1.3 . . . . 0.0 114.056 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -77.95 -37.02 48.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.065 0.848 . . . . 0.0 111.574 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.98 -48.49 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 118.925 0.784 . . . . 0.0 111.144 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -42.76 85.45 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 118.859 0.754 . . . . 0.0 111.775 173.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -63.64 -40.55 97.15 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.201 1.401 . . . . 0.0 113.26 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.7 tt -76.32 -37.62 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.425 1.011 . . . . 0.0 112.171 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.6 mmt -58.12 -57.93 10.7 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.787 1.235 . . . . 0.0 111.965 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.28 -43.57 78.93 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.456 0.702 . . . . 0.0 111.828 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.34 -45.27 76.87 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.05 0.94 . . . . 0.0 112.217 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -55.33 -52.0 64.9 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.395 1.078 . . . . 0.0 111.301 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.06 -45.19 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.197 0.999 . . . . 0.0 110.887 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -61.17 -50.91 71.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.754 1.221 . . . . 0.0 113.056 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.8 mm -76.02 -53.86 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.306 1.443 . . . . 0.0 111.97 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.0 t -80.87 -34.61 33.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.426 1.09 . . . . 0.0 113.532 -174.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.04 -9.0 50.37 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.897 1.713 . . . . 0.0 114.986 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -141.35 161.98 36.59 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.418 1.487 . . . . 0.0 112.711 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -74.86 171.26 14.33 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.175 1.39 . . . . 0.0 111.933 175.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -64.21 149.34 48.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.875 1.67 . . . . 0.0 113.219 173.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -77.96 -58.76 3.09 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.583 1.553 . . . . 0.0 112.121 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 m -148.1 169.27 20.36 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 127.722 2.409 . . . . 0.0 110.194 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.9 -34.2 69.57 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.453 0.701 . . . . 0.0 112.667 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -50.69 -49.77 56.55 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.671 1.189 . . . . 0.0 112.779 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -69.27 -42.67 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.013 0.925 . . . . 0.0 110.727 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -55.58 33.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.111 1.365 . . . . 0.0 111.68 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.3 m -69.85 -33.14 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.064 0.946 . . . . 0.0 112.923 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.05 73.17 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.637 0.775 . . . . 0.0 111.456 172.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.66 -39.34 93.61 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.78 -0.629 . . . . 0.0 112.411 174.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.68 -59.27 5.09 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.284 0.947 . . . . 0.0 112.204 174.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.4 m -62.0 -34.46 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-N 118.81 0.732 . . . . 0.0 112.288 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -64.51 -44.82 89.73 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.144 0.978 . . . . 0.0 112.577 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.93 -32.64 69.6 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.815 1.246 . . . . 0.0 113.482 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -70.81 -34.19 71.47 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.967 0.907 . . . . 0.0 112.828 173.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -67.42 164.41 18.75 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.712 1.205 . . . . 0.0 112.402 171.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.1 t70 50.85 32.2 6.98 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.452 1.901 . . . . 0.0 114.144 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.1 t -63.09 156.97 23.38 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.568 1.147 . . . . 0.0 112.763 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 83.7 mtp -134.57 -44.59 0.75 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.074 1.35 . . . . 0.0 113.656 -174.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -75.52 128.11 34.58 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.421 0.688 . . . . 0.0 110.887 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -137.88 168.04 20.52 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.849 1.66 . . . . 0.0 111.759 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -130.31 164.17 25.2 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.097 1.759 . . . . 0.0 111.38 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.4 p -149.63 157.71 43.5 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.108 1.363 . . . . 0.0 112.333 174.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 76.4 p -163.01 165.52 24.77 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.742 1.217 . . . . 0.0 113.305 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -81.62 158.05 24.48 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.992 0.917 . . . . 0.0 111.958 169.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.0 m -145.54 129.25 17.17 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.664 1.185 . . . . 0.0 110.501 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.5 p -69.16 169.43 12.02 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.649 1.18 . . . . 0.0 112.961 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.79 175.7 9.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.472 1.509 . . . . 0.0 112.021 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -130.27 161.52 31.04 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.622 1.569 . . . . 0.0 111.579 174.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -151.33 160.05 43.99 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.373 1.469 . . . . 0.0 110.839 173.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.35 174.88 10.05 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.924 1.689 . . . . 0.0 111.214 173.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.6 tp -138.24 127.02 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.539 1.136 . . . . 0.0 110.785 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -72.7 91.49 1.47 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.006 0.923 . . . . 0.0 110.815 174.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 p -61.07 -21.53 63.75 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.624 1.169 . . . . 0.0 112.853 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -59.07 -29.85 67.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.998 1.319 . . . . 0.0 112.794 171.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -71.13 -27.9 63.9 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.197 -0.939 . . . . 0.0 112.404 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -68.27 -32.54 72.78 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.163 -0.96 . . . . 0.0 112.028 175.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.63 -26.63 67.16 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.02 0.928 . . . . 0.0 112.654 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -61.76 -27.57 68.83 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.516 1.126 . . . . 0.0 112.868 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -28.99 69.96 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.405 1.882 . . . . 0.0 112.864 174.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.29 -40.79 81.68 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.24 1.416 . . . . 0.0 111.675 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -64.36 114.83 4.54 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.076 1.351 . . . . 0.0 111.555 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -142.95 108.89 5.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.833 1.253 . . . . 0.0 111.975 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -96.29 113.41 25.01 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.108 1.363 . . . . 0.0 110.761 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -134.52 177.07 8.06 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.769 1.627 . . . . 0.0 112.353 173.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.629 1.972 . . . . 0.0 110.355 177.047 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -118.37 153.59 33.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.592 1.557 . . . . 0.0 111.78 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.83 164.26 26.87 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.972 0.909 . . . . 0.0 112.229 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 41.1 mtt -136.65 152.57 50.56 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.218 1.407 . . . . 0.0 111.564 172.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -103.29 -29.57 11.17 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.999 1.32 . . . . 0.0 112.47 170.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -65.59 -19.65 66.0 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.168 1.387 . . . . 0.0 113.893 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 tp -69.17 -21.23 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 C-N-CA 124.862 1.265 . . . . 0.0 112.918 171.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.16 131.55 10.47 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.979 1.276 . . . . 0.0 112.536 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.1 m -91.45 -59.53 2.12 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.348 1.059 . . . . 0.0 112.297 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 44.82 46.5 8.82 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.357 1.863 . . . . 0.0 113.111 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -129.46 99.02 5.04 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.513 1.525 . . . . 0.0 111.352 -174.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -83.95 110.74 18.66 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.04 1.336 . . . . 0.0 111.369 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -59.72 161.79 5.89 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.379 1.472 . . . . 0.0 111.923 170.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.5 t -111.46 143.67 28.96 Favored Pre-proline 0 N--CA 1.479 0.985 0 C-N-CA 124.614 1.166 . . . . 0.0 111.424 175.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.33 168.23 24.02 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.669 2.246 . . . . 0.0 111.757 170.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.3 p -61.72 -34.35 75.65 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.29 1.036 . . . . 0.0 113.123 173.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.5 tp -84.84 92.99 8.4 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.35 1.46 . . . . 0.0 110.973 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 t -119.29 176.78 5.17 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.191 1.797 . . . . 0.0 111.884 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -59.32 163.27 4.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.746 1.618 . . . . 0.0 112.196 172.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 tpp85 -61.38 160.13 11.37 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.01 1.324 . . . . 0.0 111.978 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.9 tt -54.26 125.61 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.083 0.953 . . . . 0.0 111.13 174.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -89.74 129.04 36.21 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.188 0.995 . . . . 0.0 110.897 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -59.01 -24.5 62.84 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 m -61.27 -28.06 68.91 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.638 1.175 . . . . 0.0 112.881 174.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.6 mt -57.01 -46.38 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.515 1.126 . . . . 0.0 110.628 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.25 -41.69 60.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.324 0.65 . . . . 0.0 112.215 179.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -70.66 -21.93 62.55 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.78 97.15 27.84 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.315 1.046 . . . . 0.0 112.089 -168.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.34 -18.05 49.78 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.369 2.713 . . . . 0.0 114.427 -170.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.8 mtp -56.79 -24.91 53.87 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.238 1.415 . . . . 0.0 113.093 171.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.54 -58.61 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.398 1.079 . . . . 0.0 111.002 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -51.87 -44.11 63.57 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 112.021 -178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -62.21 -37.41 85.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.131 1.373 . . . . 0.0 113.335 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.66 46.91 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.119 0.872 . . . . 0.0 112.08 174.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.41 -39.6 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.583 1.083 . . . . 0.0 111.516 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.7 ttm-85 -59.4 -22.36 61.31 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.7 mtm -81.29 -8.9 59.82 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 171.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.25 -1.41 18.96 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.725 1.631 . . . . 0.0 115.53 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -68.38 166.72 16.07 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.076 1.438 . . . . 0.0 112.786 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -94.44 139.75 30.72 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.282 1.433 . . . . 0.0 112.143 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.35 -46.71 62.78 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.403 1.081 . . . . 0.0 112.957 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -51.81 -48.23 63.94 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.085 1.754 . . . . 0.0 112.469 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.42 -36.65 83.36 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.248 0.619 . . . . 0.0 112.485 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -68.51 -51.48 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 119.17 0.895 . . . . 0.0 111.496 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -39.19 79.78 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.025 0.829 . . . . 0.0 111.92 176.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -62.42 -51.19 68.52 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.378 1.071 . . . . 0.0 111.813 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -66.08 -37.67 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 118.767 -0.635 . . . . 0.0 112.298 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 mtt -65.33 -51.67 59.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.277 0.944 . . . . 0.0 112.689 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.74 -40.04 93.71 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.987 0.812 . . . . 0.0 111.944 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.62 -49.41 71.19 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.869 0.759 . . . . 0.0 112.13 174.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -53.39 -54.14 41.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.753 1.221 . . . . 0.0 111.416 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.44 -42.05 94.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.695 0.798 . . . . 0.0 111.161 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -62.23 -45.9 91.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.239 1.016 . . . . 0.0 113.178 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.0 mm -80.47 -51.53 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.016 1.326 . . . . 0.0 112.026 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.0 t -86.07 -32.08 21.58 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.393 1.477 . . . . 0.0 113.894 -173.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.6 -12.27 59.63 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.706 1.622 . . . . 0.0 115.273 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -137.89 163.37 31.64 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.96 1.704 . . . . 0.0 111.974 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -73.42 169.4 17.25 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.524 1.129 . . . . 0.0 112.563 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -59.0 148.4 30.92 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.78 1.232 . . . . 0.0 112.999 165.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -75.83 -59.44 2.75 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.058 1.743 . . . . 0.0 111.976 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 m -145.74 167.56 22.85 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.04 2.136 . . . . 0.0 110.556 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.85 -37.65 69.04 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.969 0.907 . . . . 0.0 112.242 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.56 -33.89 56.33 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.6 t -82.34 -44.63 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.539 0.736 . . . . 0.0 110.241 174.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.45 -55.18 31.47 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.775 1.23 . . . . 0.0 111.458 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.2 m -69.72 -34.61 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.804 1.242 . . . . 0.0 113.044 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.58 73.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.767 0.827 . . . . 0.0 111.312 172.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.32 -36.96 85.62 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.67 -0.681 . . . . 0.0 112.144 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.9 mt -56.75 -56.27 23.63 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.765 1.166 . . . . 0.0 112.211 172.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.78 -40.64 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 118.807 0.731 . . . . 0.0 111.668 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -64.33 -38.62 91.67 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.075 0.852 . . . . 0.0 113.291 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.83 -39.55 61.57 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.876 1.27 . . . . 0.0 113.292 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -74.54 -27.2 60.42 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.59 171.92 1.02 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.67 1.588 . . . . 0.0 112.833 169.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.0 t70 62.55 16.59 8.89 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 126.958 2.103 . . . . 0.0 113.978 -174.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 92.9 p -72.99 167.67 20.61 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.855 1.662 . . . . 0.0 113.056 174.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 76.4 mtp -76.82 169.12 18.89 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.602 0.761 . . . . 0.0 111.849 164.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -93.92 140.54 29.57 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.546 1.538 . . . . 0.0 110.722 174.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -143.9 138.98 28.95 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.457 1.503 . . . . 0.0 110.774 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -142.6 123.46 14.33 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.097 1.359 . . . . 0.0 110.734 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.9 p -61.79 -62.93 1.45 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.334 1.454 . . . . 0.0 112.571 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.6 t -157.19 154.77 29.8 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.907 1.683 . . . . 0.0 111.507 169.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -79.91 156.46 27.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.571 1.148 . . . . 0.0 113.101 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.0 p -100.61 81.03 2.26 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.448 1.499 . . . . 0.0 112.135 -175.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.2 m -79.64 5.71 12.5 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.375 1.47 . . . . 0.0 114.908 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.5 142.66 55.21 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.072 1.349 . . . . 0.0 111.901 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -76.54 154.81 34.22 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.208 1.003 . . . . 0.0 111.384 173.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -139.91 166.41 24.72 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.122 1.769 . . . . 0.0 111.999 174.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -153.7 139.04 17.58 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.043 1.337 . . . . 0.0 111.656 171.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.2 mt -104.88 -35.27 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.866 1.267 . . . . 0.0 110.741 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.5 t -76.23 78.45 3.02 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.795 1.238 . . . . 0.0 112.223 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.6 t -63.25 -32.33 73.71 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.902 0.881 . . . . 0.0 112.132 170.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -56.72 -44.64 81.82 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.009 1.324 . . . . 0.0 112.766 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -63.46 -21.36 66.26 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -74.71 -46.11 39.83 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.346 -0.846 . . . . 0.0 110.75 169.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 70.4 mt -62.21 -33.69 75.03 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.646 1.179 . . . . 0.0 112.659 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -56.55 -26.01 53.69 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.253 1.421 . . . . 0.0 114.195 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -74.13 -29.13 61.67 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.255 0.934 . . . . 0.0 113.26 174.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -86.02 -39.16 17.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.864 1.266 . . . . 0.0 111.791 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -64.69 129.16 38.77 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.184 1.394 . . . . 0.0 111.365 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -120.68 102.78 8.63 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.037 1.335 . . . . 0.0 111.644 -176.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.11 121.5 14.87 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.747 1.219 . . . . 0.0 111.488 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -145.89 157.66 43.89 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.107 1.763 . . . . 0.0 111.915 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.23 0 C-N-CA 125.856 1.663 . . . . 0.0 111.265 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -152.02 154.87 36.84 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.35 1.06 . . . . 0.0 111.538 165.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.25 169.23 15.95 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.793 1.237 . . . . 0.0 112.215 170.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.5 ptp -144.47 178.53 7.88 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.98 1.712 . . . . 0.0 111.841 174.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.92 110.28 0.78 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.217 1.407 . . . . 0.0 112.329 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -136.02 107.16 6.75 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.74 1.616 . . . . 0.0 111.169 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.5 pt -108.11 -2.71 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 125.139 1.376 . . . . 0.0 114.042 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.25 -93.52 1.87 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.469 1.509 . . . . 0.0 112.408 -175.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.2 m -141.82 119.22 11.55 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.019 1.327 . . . . 0.0 112.309 -173.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -93.68 -18.35 22.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.845 1.258 . . . . 0.0 114.055 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -73.15 169.98 15.9 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.906 1.282 . . . . 0.0 112.595 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 55.1 21.57 3.96 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.385 1.874 . . . . 0.0 114.748 -175.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -126.35 168.16 14.53 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.652 1.981 . . . . 0.0 112.092 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -132.08 162.36 57.17 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 127.458 2.303 . . . . 0.0 111.172 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -65.5 168.83 13.78 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 171.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.3 m -55.82 171.53 0.22 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.521 1.929 . . . . 0.0 113.528 175.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.7 mt -58.6 106.81 0.43 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 122.283 1.039 . . . . 0.0 112.01 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -65.69 168.57 7.5 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.758 2.023 . . . . 0.0 111.071 173.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 170.05 3.58 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.918 1.287 . . . . 0.0 111.76 176.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.6 ttt85 -54.49 172.22 0.1 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 127.767 2.427 . . . . 0.0 112.985 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 tt -42.64 113.31 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 126.33 1.852 . . . . 0.0 112.962 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.21 135.45 49.07 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.172 0.989 . . . . 0.0 110.79 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -61.49 -21.02 63.82 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.5 m -58.98 -29.94 67.58 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.796 1.639 . . . . 0.0 113.264 171.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.98 -47.54 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.662 1.185 . . . . 0.0 110.569 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -71.59 -42.55 67.6 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.566 0.746 . . . . 0.0 112.602 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -70.31 -20.42 63.02 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -175.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -131.49 97.36 19.52 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.214 1.005 . . . . 0.0 112.707 -170.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.39 -15.96 42.76 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.702 2.934 . . . . 0.0 115.229 -167.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.6 mtp -57.69 -25.34 60.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.586 1.154 . . . . 0.0 112.597 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 81.5 t -57.91 -54.91 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.195 0.998 . . . . 0.0 111.042 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -56.47 -42.34 78.08 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.414 0.686 . . . . 0.0 112.271 -175.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -62.18 -36.11 80.87 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.601 1.16 . . . . 0.0 113.401 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.99 -54.75 37.25 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.132 0.878 . . . . 0.0 111.399 173.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -54.66 -39.65 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.028 -1.045 . . . . 0.0 111.7 174.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -59.36 -24.49 63.44 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.9 mtm -80.47 -8.9 59.73 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 172.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.67 -1.89 20.03 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.709 1.623 . . . . 0.0 115.477 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -67.38 163.77 20.04 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.184 1.492 . . . . 0.0 112.351 171.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.2 m -92.97 141.25 28.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.007 1.323 . . . . 0.0 112.031 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -49.66 -46.42 49.7 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.819 1.247 . . . . 0.0 112.842 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -54.96 -45.2 74.88 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.925 1.29 . . . . 0.0 112.726 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -65.5 -38.36 89.51 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.993 -0.527 . . . . 0.0 112.169 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mm -68.81 -51.79 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 118.851 0.751 . . . . 0.0 111.589 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -40.58 83.13 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.889 0.768 . . . . 0.0 112.156 177.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -51.81 67.39 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.84 1.656 . . . . 0.0 112.273 174.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 tt -68.42 -35.35 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 119.276 0.944 . . . . 0.0 112.606 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -57.68 11.33 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.055 0.942 . . . . 0.0 111.539 173.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.46 -40.73 83.46 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.641 0.655 . . . . 0.0 112.044 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -66.59 -46.26 76.54 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.781 0.719 . . . . 0.0 112.776 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -55.6 -49.27 73.23 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.394 0.997 . . . . 0.0 111.572 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.97 -44.26 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 123.772 0.829 . . . . 0.0 110.906 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -62.8 -45.28 93.39 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.493 1.117 . . . . 0.0 112.977 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.2 mm -79.68 -55.08 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.32 1.448 . . . . 0.0 111.787 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -79.46 -43.36 23.4 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.273 1.029 . . . . 0.0 113.109 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.61 -10.2 19.15 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.92 1.724 . . . . 0.0 115.032 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -145.49 167.21 23.54 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.422 1.489 . . . . 0.0 112.919 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -82.75 169.68 15.9 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.796 1.238 . . . . 0.0 112.073 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -59.47 149.96 28.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.755 2.422 . . . . 0.0 113.793 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -81.67 -53.23 6.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.485 1.514 . . . . 0.0 112.728 179.706 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -145.9 166.01 27.24 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.272 1.829 . . . . 0.0 110.774 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.24 -35.19 69.4 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.354 0.662 . . . . 0.0 112.07 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -50.19 -50.03 50.69 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.77 1.228 . . . . 0.0 112.623 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.0 t -69.88 -42.5 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.923 0.889 . . . . 0.0 110.789 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.08 -55.5 34.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.701 1.2 . . . . 0.0 111.698 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.59 -34.03 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.767 1.227 . . . . 0.0 112.903 -176.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.38 -51.7 66.54 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.592 0.757 . . . . 0.0 111.239 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -65.4 -33.15 75.28 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 118.67 -0.681 . . . . 0.0 112.179 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -58.05 -60.97 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.648 1.179 . . . . 0.0 112.393 170.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.58 -37.64 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.229 0.922 . . . . 0.0 111.849 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -59.19 -50.12 75.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.524 1.13 . . . . 0.0 112.222 173.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.85 95.99 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.299 1.04 . . . . 0.0 112.381 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -61.96 -19.0 62.3 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -68.42 -16.47 63.92 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.401 1.0 . . . . 0.0 113.564 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -131.93 171.19 13.88 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.881 2.072 . . . . 0.0 111.428 -177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m -72.85 117.1 14.15 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.973 -1.08 . . . . 0.0 111.835 171.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 53.0 tpp -54.95 -35.28 64.08 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.631 1.573 . . . . 0.0 113.427 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.72 20.53 17.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.054 1.742 . . . . 0.0 113.86 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -61.45 89.89 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.414 1.486 . . . . 0.0 112.912 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -147.88 151.57 36.12 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.374 1.87 . . . . 0.0 110.625 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.6 p -62.29 -52.99 61.48 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.351 1.46 . . . . 0.0 113.598 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.8 p -102.55 112.47 25.22 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.243 1.817 . . . . 0.0 111.815 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -134.14 118.19 17.41 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.178 1.791 . . . . 0.0 110.677 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.5 p -75.91 45.33 0.34 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.864 2.065 . . . . 0.0 113.131 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.1 m -74.52 -31.39 62.13 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.988 1.315 . . . . 0.0 113.56 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.8 mp 51.91 26.68 3.79 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 127.282 2.233 . . . . 0.0 113.991 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -92.51 158.11 16.19 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.795 1.638 . . . . 0.0 113.403 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -81.18 177.46 9.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.526 1.93 . . . . 0.0 111.998 168.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 56.04 22.04 5.56 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.656 1.982 . . . . 0.0 114.312 -172.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 13.8 tt -92.63 -18.0 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.13 1.372 . . . . 0.0 113.186 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.8 p -81.76 25.11 0.56 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.377 2.271 . . . . 0.0 114.259 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.6 p -58.72 -19.34 39.18 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.53 1.532 . . . . 0.0 114.807 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -46.92 -40.26 13.85 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.763 1.625 . . . . 0.0 112.516 167.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -68.8 -52.89 25.33 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.506 1.122 . . . . 0.0 112.495 178.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -67.94 -31.44 71.19 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.14 -0.975 . . . . 0.0 113.06 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.17 -29.82 65.67 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.329 -0.857 . . . . 0.0 113.143 175.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.7 -29.01 69.07 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.214 1.005 . . . . 0.0 112.764 174.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 72.8 ttt-85 -64.32 -37.54 87.86 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.792 1.237 . . . . 0.0 112.66 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.0 -62.09 1.58 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.302 1.041 . . . . 0.0 110.958 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -106.07 80.6 1.53 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.756 1.223 . . . . 0.0 110.222 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.27 -53.04 33.5 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.088 0.955 . . . . 0.0 112.05 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -144.32 161.56 38.65 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.949 2.099 . . . . 0.0 111.292 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.69 165.64 35.32 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.008 1.723 . . . . 0.0 112.687 170.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.253 1.252 0 C-N-CA 126.727 2.011 . . . . 0.0 111.388 171.721 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.119 -0.392 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -64.73 146.79 54.28 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.349 1.059 . . . . 0.0 113.348 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.03 -28.91 55.05 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.71 1.204 . . . . 0.0 113.807 176.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 53.7 mtt 37.06 60.8 0.96 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.202 2.201 . . . . 0.0 113.928 -174.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -131.09 106.55 8.44 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.399 1.48 . . . . 0.0 112.342 -169.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.02 -24.43 66.16 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.31 1.444 . . . . 0.0 114.497 -177.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 tp -65.34 -16.49 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 C-N-CA 125.565 1.546 . . . . 0.0 113.714 174.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.71 -161.54 48.1 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 121.098 -1.001 . . . . 0.0 113.3 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -132.89 129.81 38.85 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.23 1.412 . . . . 0.0 110.949 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -126.61 76.62 1.64 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.581 1.552 . . . . 0.0 110.694 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -148.49 178.14 8.86 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.153 1.381 . . . . 0.0 112.061 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.82 135.98 57.86 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.378 1.071 . . . . 0.0 112.611 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -12.25 22.09 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.448 1.499 . . . . 0.0 114.221 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -118.47 155.75 51.77 Favored Pre-proline 0 N--CA 1.476 0.841 0 C-N-CA 126.519 1.927 . . . . 0.0 113.059 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -73.38 165.28 32.93 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 123.563 2.842 . . . . 0.0 112.275 174.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -70.08 -24.06 63.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.321 1.049 . . . . 0.0 113.476 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.02 84.95 2.91 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.425 1.49 . . . . 0.0 111.359 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -66.8 155.04 39.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.961 1.304 . . . . 0.0 110.637 167.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -109.81 169.02 8.99 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.093 1.357 . . . . 0.0 112.064 175.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -63.83 162.45 13.56 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.125 0.97 . . . . 0.0 111.762 164.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.1 tt -54.3 165.88 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 126.908 2.083 . . . . 0.0 112.35 173.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -132.63 155.11 49.33 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.938 1.695 . . . . 0.0 110.717 173.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -56.73 -36.89 70.24 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.216 1.006 . . . . 0.0 112.725 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 m -63.86 -26.49 68.64 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -174.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.41 -43.89 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.428 1.091 . . . . 0.0 111.181 170.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -85.63 -40.44 16.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.02 0.928 . . . . 0.0 112.61 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -68.94 -23.2 64.13 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -131.91 106.83 13.9 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.177 0.991 . . . . 0.0 112.467 -176.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.59 -13.56 35.28 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.448 2.765 . . . . 0.0 115.035 -169.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.2 mtp -58.7 -25.65 63.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.363 1.065 . . . . 0.0 112.535 172.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.0 t -59.71 -56.31 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.55 1.14 . . . . 0.0 111.082 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -50.38 -45.43 55.32 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.679 1.192 . . . . 0.0 112.324 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -62.82 -35.34 79.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.942 1.297 . . . . 0.0 113.722 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.09 -50.63 67.58 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.194 -0.941 . . . . 0.0 111.478 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -56.82 -38.89 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 121.276 -0.89 . . . . 0.0 111.364 172.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -59.88 -22.38 62.26 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.7 mtm -82.05 -10.47 59.21 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 171.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.64 -1.79 15.61 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.634 1.587 . . . . 0.0 115.845 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -68.13 164.6 19.98 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.289 1.545 . . . . 0.0 112.988 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.3 m -89.41 139.17 30.79 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.665 1.186 . . . . 0.0 112.103 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -49.62 -45.37 48.16 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.3 1.04 . . . . 0.0 112.964 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -55.84 -35.25 66.21 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.398 1.879 . . . . 0.0 113.559 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -74.47 -43.83 54.32 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.927 0.785 . . . . 0.0 111.987 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.5 -47.47 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 118.288 0.495 . . . . 0.0 111.013 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.85 85.71 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.492 0.587 . . . . 0.0 112.374 174.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -46.98 79.77 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.638 1.175 . . . . 0.0 112.082 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 tt -70.35 -36.57 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 118.851 0.75 . . . . 0.0 112.149 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.5 mmt -58.26 -59.79 4.77 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.01 1.324 . . . . 0.0 111.989 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.32 -41.62 89.51 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.4 0.545 . . . . 0.0 111.915 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -69.48 -43.02 74.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.066 0.947 . . . . 0.0 111.889 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -53.47 -57.28 11.22 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.684 1.194 . . . . 0.0 110.768 170.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.52 -43.4 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.759 0.823 . . . . 0.0 111.375 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.81 -48.77 80.36 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.959 1.304 . . . . 0.0 112.999 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.6 mm -77.56 -55.36 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.379 1.071 . . . . 0.0 112.24 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 t -78.9 -25.72 43.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.802 1.641 . . . . 0.0 113.913 -171.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.36 -5.71 84.42 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.352 1.453 . . . . 0.0 114.895 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -149.63 157.88 43.65 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.224 1.41 . . . . 0.0 112.37 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -67.89 172.66 5.2 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.404 1.882 . . . . 0.0 112.372 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -63.58 143.11 58.09 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.594 1.557 . . . . 0.0 112.786 173.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -67.7 -55.69 12.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.885 1.674 . . . . 0.0 112.936 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.7 m -146.29 166.07 27.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.826 1.65 . . . . 0.0 111.302 -173.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.7 mt -53.68 -41.41 66.87 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.539 1.136 . . . . 0.0 111.974 177.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -50.22 -52.39 36.25 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.702 1.601 . . . . 0.0 112.741 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.22 -44.18 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.943 0.897 . . . . 0.0 110.579 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -55.44 34.26 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.713 1.205 . . . . 0.0 111.618 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.97 -33.64 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.189 0.996 . . . . 0.0 113.078 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.85 73.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.205 0.602 . . . . 0.0 111.367 171.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.32 -35.0 79.43 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.875 -0.583 . . . . 0.0 112.46 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -58.21 -61.05 2.85 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.323 0.965 . . . . 0.0 112.017 171.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.1 m -59.56 -34.23 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 119.233 0.924 . . . . 0.0 112.324 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -62.82 -53.76 49.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.056 1.342 . . . . 0.0 112.488 173.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.02 -29.62 69.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.231 1.012 . . . . 0.0 113.161 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -92.93 6.9 46.17 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.39 1.476 . . . . 0.0 114.382 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -57.07 -51.69 68.28 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.805 1.184 . . . . 0.0 112.826 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -118.14 162.08 18.8 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.758 1.623 . . . . 0.0 112.043 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.6 m -140.64 145.63 36.86 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.882 1.273 . . . . 0.0 111.174 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.8 mmt -77.62 -22.78 50.25 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -66.74 138.58 57.49 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.927 0.785 . . . . 0.0 111.794 175.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -69.31 155.0 41.15 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.508 0.723 . . . . 0.0 111.029 170.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -67.17 159.26 29.34 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.188 -0.945 . . . . 0.0 112.111 173.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -142.03 157.34 45.04 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.124 0.969 . . . . 0.0 112.318 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.2 m -72.84 138.58 46.41 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.603 1.161 . . . . 0.0 111.411 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -142.76 139.94 31.23 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.075 1.35 . . . . 0.0 110.206 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -99.03 92.45 5.5 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.966 0.907 . . . . 0.0 110.42 -176.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.9 t -75.38 83.98 2.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.551 1.14 . . . . 0.0 111.532 178.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.05 70.04 3.4 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.83 1.652 . . . . 0.0 112.507 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.14 125.59 26.52 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.135 0.974 . . . . 0.0 112.138 172.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.45 162.7 40.48 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.991 1.716 . . . . 0.0 112.112 171.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -86.82 160.87 18.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.473 1.109 . . . . 0.0 112.268 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.9 mm -100.55 105.07 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.963 1.305 . . . . 0.0 111.278 -173.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 71.1 m -76.86 -22.65 53.19 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 29.1 p -66.55 -33.53 75.87 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.109 -0.994 . . . . 0.0 112.828 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -57.88 -44.38 86.65 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.306 -0.871 . . . . 0.0 111.713 172.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.81 -49.3 71.18 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.965 0.906 . . . . 0.0 112.713 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -66.15 -38.24 87.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.808 0.731 . . . . 0.0 112.558 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.29 -40.53 93.94 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.499 -0.751 . . . . 0.0 111.909 174.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -65.45 -18.61 65.45 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.733 1.213 . . . . 0.0 113.785 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -76.71 -54.31 6.82 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.25 0.932 . . . . 0.0 111.83 169.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.83 -37.18 59.29 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -174.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 47.86 24.5 0.6 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 127.432 2.293 . . . . 0.0 116.181 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -119.46 162.21 19.24 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.268 1.827 . . . . 0.0 111.15 -176.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -70.59 94.56 1.0 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.802 1.241 . . . . 0.0 111.861 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -64.28 173.74 1.9 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.451 1.501 . . . . 0.0 113.286 168.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.084 1.754 . . . . 0.0 112.169 173.042 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m -136.64 170.07 16.67 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.791 2.036 . . . . 0.0 111.131 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.35 164.45 17.93 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.402 1.481 . . . . 0.0 112.572 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.6 tpt -65.77 -44.4 85.94 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.091 1.357 . . . . 0.0 113.543 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.54 53.29 1.18 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.274 1.43 . . . . 0.0 112.27 -170.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.07 -20.7 64.28 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tp -69.63 -19.41 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 125.555 1.542 . . . . 0.0 113.714 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.3 -126.41 25.44 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.051 -1.03 . . . . 0.0 112.413 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.7 m -132.63 166.35 22.34 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.739 1.616 . . . . 0.0 112.388 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -131.47 25.24 4.79 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.426 1.49 . . . . 0.0 113.473 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -121.32 96.54 5.12 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.894 1.678 . . . . 0.0 112.288 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -96.69 57.19 1.56 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.991 1.316 . . . . 0.0 111.89 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -139.77 164.17 30.66 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.979 1.712 . . . . 0.0 111.91 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 p -97.68 160.9 27.53 Favored Pre-proline 0 N--CA 1.479 0.987 0 C-N-CA 126.344 1.858 . . . . 0.0 112.675 175.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.46 -45.32 0.84 Allowed 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.071 2.514 . . . . 0.0 112.859 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.6 p -81.75 157.08 24.66 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.007 1.323 . . . . 0.0 112.661 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.83 -81.1 0.08 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.189 1.396 . . . . 0.0 111.33 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 m -148.11 158.42 44.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.584 1.954 . . . . 0.0 109.88 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -124.57 -179.17 4.38 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.928 2.091 . . . . 0.0 111.014 174.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -50.08 160.78 0.32 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.429 1.492 . . . . 0.0 113.092 170.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.4 pt -58.5 162.17 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.098 0.959 . . . . 0.0 111.754 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -137.28 120.75 17.09 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.34 1.056 . . . . 0.0 110.282 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -55.55 -30.79 61.4 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -54.98 -27.66 45.65 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.382 1.873 . . . . 0.0 113.667 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.6 mt -55.7 -45.54 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.489 1.116 . . . . 0.0 110.795 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.0 -41.95 16.73 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.002 1.321 . . . . 0.0 111.703 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -67.81 -25.08 65.4 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.161 0.984 . . . . 0.0 113.574 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -132.68 104.27 13.15 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.538 1.135 . . . . 0.0 112.148 -175.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -68.53 -13.19 36.78 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.521 2.814 . . . . 0.0 114.784 -169.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.3 mtp -59.38 -24.26 63.28 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.279 1.032 . . . . 0.0 112.527 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.43 -58.52 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.269 0.628 . . . . 0.0 111.242 173.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -50.85 -45.04 59.63 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.307 1.043 . . . . 0.0 112.276 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -62.37 -35.94 80.72 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.973 1.309 . . . . 0.0 113.634 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.28 -54.23 32.21 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.24 -0.912 . . . . 0.0 111.808 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -54.21 -39.65 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.684 1.129 . . . . 0.0 111.689 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -55.66 -29.96 60.18 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.3 mtm -76.54 -8.12 56.56 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.57 -0.9 21.91 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.788 1.661 . . . . 0.0 115.163 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -67.76 165.36 17.51 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 118.934 1.367 . . . . 0.0 112.704 172.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 m -95.42 138.8 32.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.46 1.504 . . . . 0.0 111.813 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -50.91 -48.14 60.63 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.045 0.938 . . . . 0.0 113.283 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -52.84 -43.81 66.28 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.34 1.856 . . . . 0.0 112.852 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -43.8 86.66 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.964 0.906 . . . . 0.0 111.214 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.09 -50.64 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.13 0.423 . . . . 0.0 111.379 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -38.93 84.91 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.593 -0.692 . . . . 0.0 112.196 176.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -49.41 76.08 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.099 0.96 . . . . 0.0 112.203 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -68.02 -37.67 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 118.736 0.698 . . . . 0.0 112.078 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -55.81 27.6 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.573 1.149 . . . . 0.0 112.065 174.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.07 -40.57 89.96 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.684 0.675 . . . . 0.0 112.141 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -66.4 -48.56 69.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.569 0.748 . . . . 0.0 112.634 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -53.63 -51.83 61.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.438 1.095 . . . . 0.0 111.359 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.9 mt -62.72 -45.75 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.481 0.713 . . . . 0.0 111.224 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -61.36 -46.35 90.61 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.104 0.866 . . . . 0.0 112.778 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -76.45 -51.53 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.696 1.198 . . . . 0.0 112.078 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 t -85.06 -33.86 22.39 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.168 1.387 . . . . 0.0 113.917 -171.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.12 -18.49 36.3 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 126.356 1.932 . . . . 0.0 115.209 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.3 m -140.25 165.53 27.14 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.029 1.732 . . . . 0.0 112.111 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -74.66 170.48 15.72 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.559 1.144 . . . . 0.0 112.453 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -59.31 147.12 37.1 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.213 1.805 . . . . 0.0 113.274 175.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -76.8 -50.15 14.18 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.658 1.583 . . . . 0.0 113.271 -175.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.8 m -153.09 167.55 28.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.445 2.298 . . . . 0.0 110.246 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.48 -34.16 70.57 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 118.323 -0.846 . . . . 0.0 112.434 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -51.57 -51.67 53.55 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.788 1.176 . . . . 0.0 112.739 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.64 -42.69 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.443 0.697 . . . . 0.0 110.478 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -56.2 25.0 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.625 1.17 . . . . 0.0 111.424 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -70.18 -33.94 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.846 1.258 . . . . 0.0 113.09 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.37 67.96 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.453 0.701 . . . . 0.0 111.305 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.96 -35.06 79.45 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 118.832 -0.604 . . . . 0.0 112.296 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 mt -57.36 -61.67 2.31 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.513 1.052 . . . . 0.0 112.252 172.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 m -60.74 -33.63 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.367 0.985 . . . . 0.0 112.16 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -63.42 -47.84 80.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.306 1.043 . . . . 0.0 112.777 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.2 66.14 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.637 1.175 . . . . 0.0 113.469 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.54 -37.96 77.28 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.364 1.066 . . . . 0.0 112.663 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -64.31 155.51 31.94 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.749 0.704 . . . . 0.0 111.731 170.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t0 57.5 16.97 3.58 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 126.339 1.856 . . . . 0.0 114.961 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.7 p -66.53 -53.25 36.92 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.879 1.672 . . . . 0.0 113.027 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 96.3 mmm -138.55 165.64 26.36 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.113 2.565 . . . . 0.0 110.931 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -69.56 153.14 43.91 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.461 1.104 . . . . 0.0 111.805 175.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -80.06 91.86 5.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.111 1.364 . . . . 0.0 111.275 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -72.96 90.6 1.49 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.788 1.235 . . . . 0.0 111.812 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.8 m -138.9 114.81 10.08 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.762 1.625 . . . . 0.0 110.719 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t -60.02 127.29 31.15 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.781 0.832 . . . . 0.0 111.161 174.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -142.94 153.01 42.64 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.212 1.405 . . . . 0.0 110.977 -175.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.6 m -78.53 78.44 4.99 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.053 0.941 . . . . 0.0 110.68 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.7 t -153.64 162.16 41.51 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.644 1.978 . . . . 0.0 111.066 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 mp -111.02 79.15 1.17 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.632 1.573 . . . . 0.0 110.437 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -81.58 157.71 24.65 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.649 0.78 . . . . 0.0 112.786 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -116.6 -6.87 11.63 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.471 1.908 . . . . 0.0 115.16 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -122.96 99.74 6.53 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.033 1.733 . . . . 0.0 110.535 -177.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.6 tt -149.82 146.31 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.97 1.308 . . . . 0.0 111.869 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.5 m -76.49 64.67 2.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.603 1.561 . . . . 0.0 112.383 176.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.8 t -58.5 -32.92 69.25 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.985 0.914 . . . . 0.0 112.957 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.39 -33.78 75.44 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.025 -1.047 . . . . 0.0 113.011 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -73.18 -36.64 66.61 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.912 0.885 . . . . 0.0 111.238 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -61.22 -35.42 77.15 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.857 0.863 . . . . 0.0 112.701 175.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.1 mt -55.33 -37.46 67.44 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.297 0.953 . . . . 0.0 112.492 175.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -65.64 -31.78 72.99 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.7 1.2 . . . . 0.0 112.787 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -45.16 69.51 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.263 1.025 . . . . 0.0 111.486 172.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.64 -42.6 93.12 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.349 1.06 . . . . 0.0 112.358 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -79.35 77.2 5.91 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.542 1.137 . . . . 0.0 112.623 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -86.85 96.34 10.18 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.288 1.435 . . . . 0.0 111.732 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -69.99 153.26 43.46 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.949 -1.095 . . . . 0.0 112.28 174.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -66.42 -30.17 70.48 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.294 1.838 . . . . 0.0 113.977 -174.338 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.499 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.6 p -66.94 161.52 23.95 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.23 1.012 . . . . 0.0 112.446 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.28 167.14 25.0 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.929 1.292 . . . . 0.0 112.322 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.6 ptp -151.49 150.05 29.93 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.688 1.595 . . . . 0.0 111.692 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.28 162.66 41.05 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.608 1.563 . . . . 0.0 111.214 173.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -134.54 90.45 2.66 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.231 1.413 . . . . 0.0 110.543 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.7 pt -112.53 34.98 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.505 1.922 . . . . 0.0 112.118 -175.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.07 -142.77 11.96 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 126.624 2.059 . . . . 0.0 112.675 173.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.1 m -136.0 131.76 35.43 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.0 1.32 . . . . 0.0 111.558 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.18 -5.53 10.45 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.191 1.796 . . . . 0.0 113.955 -175.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -79.97 -17.48 52.83 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.876 1.27 . . . . 0.0 114.164 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -78.66 140.49 38.38 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.914 1.285 . . . . 0.0 112.708 -174.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -121.61 19.44 11.16 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 126.312 1.845 . . . . 0.0 113.96 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 p -115.56 159.13 39.78 Favored Pre-proline 0 N--CA 1.479 1.002 0 C-N-CA 126.322 1.849 . . . . 0.0 112.09 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.82 172.86 14.46 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 123.123 2.549 . . . . 0.0 112.181 173.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.3 p -62.81 155.39 26.96 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.38 1.072 . . . . 0.0 113.363 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -82.74 89.5 6.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.072 1.349 . . . . 0.0 111.243 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -137.48 148.92 46.44 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.953 1.301 . . . . 0.0 111.08 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -68.2 -8.65 40.68 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.616 1.567 . . . . 0.0 115.202 175.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.0 ttt85 -55.42 108.54 0.44 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.285 2.234 . . . . 0.0 111.7 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.8 tp -66.59 148.3 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.962 0.905 . . . . 0.0 111.305 173.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -85.33 57.23 4.33 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.198 1.799 . . . . 0.0 112.965 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -57.66 -21.16 38.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.412 1.085 . . . . 0.0 113.726 174.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.4 m -56.09 -27.93 55.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.292 1.437 . . . . 0.0 112.933 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -56.5 -49.49 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.249 1.42 . . . . 0.0 111.098 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -74.95 -42.29 57.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.856 0.862 . . . . 0.0 112.353 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -68.45 -22.08 64.6 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -174.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -131.83 101.72 15.27 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.591 1.156 . . . . 0.0 112.197 -172.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.48 -15.5 41.82 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.596 2.864 . . . . 0.0 115.188 -167.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.1 mtp -58.95 -25.31 63.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.841 0.857 . . . . 0.0 112.832 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.22 -56.64 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.43 0.692 . . . . 0.0 110.461 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -51.79 -45.32 63.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.912 0.885 . . . . 0.0 112.416 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -60.97 -35.9 77.98 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.929 1.291 . . . . 0.0 113.417 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.58 56.46 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.344 -0.848 . . . . 0.0 112.219 174.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.44 -38.14 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.237 0.926 . . . . 0.0 111.314 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -59.43 -23.85 63.02 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.0 mtm -81.79 -9.22 59.68 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 172.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.08 -2.55 14.49 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.711 1.625 . . . . 0.0 115.739 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -68.11 162.12 25.4 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.292 1.546 . . . . 0.0 112.9 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.4 m -87.85 141.52 28.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.906 1.282 . . . . 0.0 111.986 175.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -51.03 -45.01 61.13 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.146 0.978 . . . . 0.0 112.993 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -42.85 69.63 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.165 1.786 . . . . 0.0 113.038 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.56 -41.49 92.89 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.461 0.573 . . . . 0.0 111.553 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mm -70.1 -49.22 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 118.529 0.604 . . . . 0.0 111.746 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -43.42 85.0 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.89 0.768 . . . . 0.0 111.602 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -58.99 -53.89 53.26 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.354 1.462 . . . . 0.0 111.829 175.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 tt -67.24 -34.93 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 118.784 0.72 . . . . 0.0 112.657 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.4 mmt -61.11 -58.08 9.87 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.95 0.9 . . . . 0.0 111.836 172.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.04 -38.53 86.48 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.866 0.757 . . . . 0.0 112.38 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.19 -50.74 69.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.284 1.033 . . . . 0.0 111.769 174.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -54.38 -50.45 67.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.796 1.238 . . . . 0.0 111.849 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.91 -49.45 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.653 0.781 . . . . 0.0 110.895 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -64.0 -43.13 96.63 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.568 1.147 . . . . 0.0 113.421 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.0 mm -77.4 -53.2 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.324 1.45 . . . . 0.0 111.946 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -89.59 -35.02 16.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.183 1.393 . . . . 0.0 114.086 -169.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.49 -17.59 25.83 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 126.021 1.772 . . . . 0.0 115.135 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.1 p -144.14 156.51 44.36 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.897 1.679 . . . . 0.0 111.69 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -82.12 170.39 15.55 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.73 0.812 . . . . 0.0 113.151 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -63.86 143.64 57.69 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.524 1.129 . . . . 0.0 112.279 175.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -113.17 -15.65 12.72 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.0 p -136.82 152.53 50.38 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.949 1.3 . . . . 0.0 110.911 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.36 -31.43 72.21 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.743 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -53.06 -55.88 20.38 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.257 1.023 . . . . 0.0 112.624 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.5 -37.81 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.981 -0.449 . . . . 0.0 112.088 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -56.33 22.98 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.876 0.87 . . . . 0.0 111.097 178.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.0 m -70.27 -33.58 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.288 1.035 . . . . 0.0 112.753 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.84 75.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.507 0.723 . . . . 0.0 111.666 171.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -65.4 -37.76 87.94 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.692 -0.63 . . . . 0.0 112.091 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.0 mt -56.91 -56.97 14.8 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.243 1.017 . . . . 0.0 112.324 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.5 -41.42 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.909 0.777 . . . . 0.0 111.349 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -61.41 -45.17 95.46 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.091 0.86 . . . . 0.0 112.703 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.91 -33.18 71.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -19.36 32.14 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -66.13 179.78 0.88 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.536 1.935 . . . . 0.0 113.199 168.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -55.13 -19.6 7.98 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.549 2.74 . . . . 0.0 115.312 168.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.7 t -73.71 85.45 1.64 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.671 1.188 . . . . 0.0 111.489 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 43.5 mtm -65.15 164.39 13.21 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.777 1.231 . . . . 0.0 111.857 170.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -126.19 139.48 53.32 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.337 1.455 . . . . 0.0 110.913 173.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -70.66 167.51 18.47 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.071 0.949 . . . . 0.0 111.89 175.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 58.53 15.41 3.57 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.597 1.959 . . . . 0.0 114.779 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.3 t -55.09 -60.07 3.89 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.808 1.643 . . . . 0.0 113.826 -172.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -159.82 173.44 15.98 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.415 1.486 . . . . 0.0 111.622 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -141.09 116.24 9.94 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.746 1.619 . . . . 0.0 111.084 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 54.3 m -92.95 125.55 37.6 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.279 1.432 . . . . 0.0 111.11 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.5 p -106.38 0.6 25.05 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.025 1.73 . . . . 0.0 114.469 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.58 165.58 12.06 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.115 1.366 . . . . 0.0 112.779 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -129.58 169.72 14.66 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.399 1.88 . . . . 0.0 112.049 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -120.0 120.22 35.71 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.571 1.948 . . . . 0.0 110.229 -173.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -57.33 145.55 31.93 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.837 1.255 . . . . 0.0 113.979 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.1 tt -67.9 137.57 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.113 0.965 . . . . 0.0 111.762 176.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.1 t -76.87 123.8 26.79 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.759 0.824 . . . . 0.0 111.648 174.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.3 m -60.06 -20.58 58.78 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.3 1.04 . . . . 0.0 112.619 174.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -56.45 -31.62 64.14 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.729 1.212 . . . . 0.0 112.713 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -71.43 -26.12 62.61 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.13 -0.981 . . . . 0.0 113.225 174.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -73.64 -28.98 62.07 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.314 -0.866 . . . . 0.0 112.248 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.15 -21.87 66.48 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.818 0.847 . . . . 0.0 113.031 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -61.47 -24.82 66.83 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.117 0.967 . . . . 0.0 113.05 171.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -77.04 -21.57 54.3 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.198 1.399 . . . . 0.0 113.862 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.51 -56.53 13.47 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.218 1.007 . . . . 0.0 111.614 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.16 147.05 52.82 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.063 0.545 . . . . 0.0 110.741 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -129.7 135.67 48.77 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.861 1.264 . . . . 0.0 110.945 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -132.75 168.23 18.72 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.639 1.576 . . . . 0.0 111.996 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -125.12 126.8 45.88 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.798 1.639 . . . . 0.0 110.228 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.808 1.643 . . . . 0.0 113.9 177.153 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 p -129.15 126.42 39.23 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.73 1.612 . . . . 0.0 112.027 -174.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.37 -49.84 51.7 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.293 1.037 . . . . 0.0 112.499 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -83.71 107.72 16.32 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.015 1.326 . . . . 0.0 110.309 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.9 7.95 6.74 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.717 1.607 . . . . 0.0 113.359 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -99.83 69.41 1.57 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.979 2.111 . . . . 0.0 112.065 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.4 -0.68 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.04 1.736 . . . . 0.0 114.076 177.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.66 -66.11 1.19 Allowed Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.208 1.385 . . . . 0.0 112.856 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -145.3 173.69 11.75 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.907 1.683 . . . . 0.0 111.76 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -136.78 -9.38 1.84 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.698 1.599 . . . . 0.0 114.802 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -148.64 101.59 3.23 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.617 1.167 . . . . 0.0 111.318 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -75.14 116.48 15.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.289 1.035 . . . . 0.0 111.108 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -65.82 173.29 2.97 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.325 1.05 . . . . 0.0 112.479 170.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 p -62.37 153.12 77.54 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.797 1.239 . . . . 0.0 113.225 174.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.01 -27.3 25.46 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.137 2.558 . . . . 0.0 113.714 -175.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.0 m -139.57 148.71 42.92 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.416 1.886 . . . . 0.0 110.266 173.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt -99.0 -57.52 2.15 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.358 1.463 . . . . 0.0 110.321 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.0 m -63.92 129.24 39.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.222 1.809 . . . . 0.0 112.287 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -80.33 142.47 34.45 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.263 1.425 . . . . 0.0 111.505 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -144.08 148.42 35.12 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.577 2.351 . . . . 0.0 110.41 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.5 tp -68.74 161.16 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.63 1.172 . . . . 0.0 111.096 167.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -148.54 142.12 25.45 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.58 1.552 . . . . 0.0 110.344 170.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.27 -21.5 66.61 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.1 m -66.32 -26.59 67.37 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.825 -1.172 . . . . 0.0 112.71 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.3 mt -58.85 -45.03 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.885 1.274 . . . . 0.0 110.986 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.85 -32.37 59.73 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.983 0.913 . . . . 0.0 112.865 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -84.41 -18.46 35.95 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -174.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -130.57 101.67 17.12 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 124.33 1.052 . . . . 0.0 112.253 -167.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.52 -17.01 43.56 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.247 2.631 . . . . 0.0 114.635 -169.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.2 mtp -59.56 -23.74 63.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.447 1.099 . . . . 0.0 112.952 171.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.04 -61.58 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.844 0.858 . . . . 0.0 110.336 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -53.86 -40.95 66.96 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.489 1.116 . . . . 0.0 112.467 -176.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -61.18 -33.3 73.22 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.845 1.258 . . . . 0.0 113.605 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.18 -52.34 35.53 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.131 0.878 . . . . 0.0 111.832 174.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -53.91 -39.61 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 119.225 0.92 . . . . 0.0 111.468 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -58.87 -21.29 56.82 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.9 mtm -83.45 -9.78 58.79 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 171.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.53 -2.72 13.81 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.776 1.655 . . . . 0.0 115.565 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -68.28 168.22 12.85 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.142 1.471 . . . . 0.0 113.006 173.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 m -99.86 134.03 43.36 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.693 1.597 . . . . 0.0 111.828 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -46.39 -48.59 18.59 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.097 1.359 . . . . 0.0 113.228 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -29.62 63.02 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.126 1.771 . . . . 0.0 114.598 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -85.0 -36.62 21.18 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.049 0.84 . . . . 0.0 111.502 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.7 -50.35 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 118.526 0.603 . . . . 0.0 110.683 175.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -35.42 78.36 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.516 -0.74 . . . . 0.0 112.464 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -50.14 69.1 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.188 0.995 . . . . 0.0 111.656 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -67.55 -35.84 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.452 0.569 . . . . 0.0 112.024 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.7 mmt -59.67 -57.89 10.98 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.672 1.189 . . . . 0.0 112.321 172.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.62 -40.49 92.11 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.851 0.75 . . . . 0.0 111.964 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.07 -45.57 80.83 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.689 0.796 . . . . 0.0 112.072 177.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -53.52 -57.42 10.77 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.847 1.259 . . . . 0.0 110.948 172.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.38 -44.19 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.603 0.761 . . . . 0.0 111.153 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.72 -46.73 89.29 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.835 1.254 . . . . 0.0 113.226 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -81.36 -52.53 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.64 1.176 . . . . 0.0 112.184 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.1 t -81.55 -27.45 34.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.933 1.693 . . . . 0.0 113.897 -173.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.52 -6.97 77.89 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.658 1.599 . . . . 0.0 115.207 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.5 m -147.65 162.02 39.98 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.001 1.72 . . . . 0.0 112.242 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -64.94 178.23 0.85 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 126.465 1.906 . . . . 0.0 112.997 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.31 150.78 45.99 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.639 1.175 . . . . 0.0 112.554 170.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -75.48 -56.31 4.83 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.841 1.656 . . . . 0.0 112.408 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.3 m -144.97 166.46 25.24 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.846 2.058 . . . . 0.0 110.523 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.12 -34.55 70.34 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.264 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -52.53 -50.57 62.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.173 0.989 . . . . 0.0 112.67 177.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.9 -45.15 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.966 0.907 . . . . 0.0 110.46 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.0 -56.63 18.37 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.082 1.353 . . . . 0.0 111.468 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.72 -34.52 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.299 1.04 . . . . 0.0 112.9 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.35 -49.22 77.81 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.66 0.664 . . . . 0.0 111.362 171.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.55 -34.43 78.24 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.464 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 mt -59.67 -58.08 10.12 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.823 1.192 . . . . 0.0 112.351 171.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.3 m -62.89 -26.79 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.739 0.7 . . . . 0.0 112.704 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -68.99 -58.1 4.57 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.438 1.095 . . . . 0.0 111.482 169.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.35 -35.18 71.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.179 1.392 . . . . 0.0 113.767 -176.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -16.91 53.9 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 175.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -80.45 -31.04 37.51 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.658 1.183 . . . . 0.0 113.22 168.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.4 p30 -121.22 36.13 4.69 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.313 1.445 . . . . 0.0 114.097 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.4 p -55.02 162.69 1.23 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.031 1.733 . . . . 0.0 113.165 170.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 60.3 mtp -135.71 162.67 32.09 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.195 0.998 . . . . 0.0 112.756 -172.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -79.63 67.8 5.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.569 1.548 . . . . 0.0 111.941 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.85 140.19 58.84 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.107 0.963 . . . . 0.0 112.099 172.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -69.02 120.47 14.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.736 1.214 . . . . 0.0 111.024 176.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.8 t -141.06 118.38 11.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.765 1.226 . . . . 0.0 111.932 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.9 p -60.53 135.07 57.64 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.445 1.498 . . . . 0.0 112.83 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -79.62 88.79 5.12 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.628 1.171 . . . . 0.0 111.129 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.9 p -63.88 161.24 15.93 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 121.22 -0.925 . . . . 0.0 112.041 171.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 m 59.48 22.52 11.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.589 1.556 . . . . 0.0 115.021 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.86 -28.55 69.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.847 1.259 . . . . 0.0 114.297 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -72.23 120.67 18.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.851 1.261 . . . . 0.0 111.35 -176.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -137.43 166.11 24.62 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.66 1.584 . . . . 0.0 112.674 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.73 130.78 43.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.256 1.422 . . . . 0.0 110.315 172.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.94 110.83 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.7 1.2 . . . . 0.0 110.596 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.3 p -112.49 30.5 7.05 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.682 1.993 . . . . 0.0 113.55 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 t -69.53 -30.34 68.15 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.843 -1.16 . . . . 0.0 113.326 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -26.4 65.08 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.681 -1.262 . . . . 0.0 113.915 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.2 mp0 -63.38 -37.33 86.87 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.946 -1.096 . . . . 0.0 112.338 169.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.46 -36.93 82.14 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.383 -0.823 . . . . 0.0 111.861 174.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.5 tp -56.18 -44.62 79.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.449 0.7 . . . . 0.0 111.24 174.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.0 tpt85 -62.52 -39.76 94.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.191 0.996 . . . . 0.0 112.89 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -64.56 -45.37 87.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.17 1.388 . . . . 0.0 112.216 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.7 mt -65.17 -45.16 86.02 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.375 1.47 . . . . 0.0 112.976 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -75.65 91.44 2.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.799 1.24 . . . . 0.0 112.26 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -133.69 106.56 7.43 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.64 1.576 . . . . 0.0 111.525 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.95 117.57 12.63 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.621 1.169 . . . . 0.0 111.272 173.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.81 157.98 26.24 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.013 0.925 . . . . 0.0 112.987 177.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.318 1.847 . . . . 0.0 110.781 -178.808 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -149.32 156.7 42.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.219 1.408 . . . . 0.0 111.16 173.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.26 153.32 31.95 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.401 1.08 . . . . 0.0 112.444 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.3 mmm -139.33 117.22 11.64 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.03 1.732 . . . . 0.0 110.822 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.4 74.8 2.48 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.815 1.246 . . . . 0.0 111.844 175.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -138.67 84.18 2.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.151 1.38 . . . . 0.0 111.875 -176.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.2 pt -96.1 -1.86 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.93 1.692 . . . . 0.0 114.152 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.49 122.39 6.33 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.987 1.28 . . . . 0.0 112.979 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 m -140.57 154.09 46.36 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.913 1.685 . . . . 0.0 110.485 171.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -128.43 -53.64 1.27 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.999 0.919 . . . . 0.0 113.278 -173.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -77.45 177.14 8.24 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.641 1.176 . . . . 0.0 111.636 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -142.74 143.77 32.38 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.535 1.134 . . . . 0.0 111.551 172.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -90.49 161.9 15.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.005 1.322 . . . . 0.0 111.843 173.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 p -71.5 155.15 92.98 Favored Pre-proline 0 N--CA 1.477 0.914 0 C-N-CA 124.468 1.107 . . . . 0.0 112.108 168.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.25 153.03 50.88 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.516 2.811 . . . . 0.0 112.514 178.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.7 p -142.41 5.89 1.66 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.889 1.676 . . . . 0.0 113.951 -177.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.6 tp -63.46 -36.77 84.85 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.884 1.674 . . . . 0.0 113.757 -171.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 t -152.64 -169.84 3.46 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.546 1.938 . . . . 0.0 110.865 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 ptp85 -55.57 166.81 0.6 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.343 1.857 . . . . 0.0 112.869 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.67 114.14 27.69 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.549 1.14 . . . . 0.0 111.853 174.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.9 tt -119.95 112.38 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.238 1.815 . . . . 0.0 111.145 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -93.3 -9.64 38.22 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.857 1.263 . . . . 0.0 113.874 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -57.02 -28.04 62.15 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.719 -1.238 . . . . 0.0 113.554 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 m -62.09 -26.16 68.12 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.221 1.408 . . . . 0.0 113.342 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.4 mt -59.76 -43.44 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.622 1.169 . . . . 0.0 111.001 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -43.77 59.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.536 0.734 . . . . 0.0 112.362 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -71.36 -19.03 62.34 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.46 92.07 32.84 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.838 1.255 . . . . 0.0 111.023 -167.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.3 -16.75 48.94 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.101 2.534 . . . . 0.0 114.621 -168.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.8 mtp -54.83 -26.89 38.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.084 1.353 . . . . 0.0 113.274 169.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.83 -54.45 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 123.826 0.851 . . . . 0.0 111.241 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -56.2 -41.67 75.93 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.544 0.738 . . . . 0.0 112.33 -176.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -63.21 -34.94 78.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.938 1.295 . . . . 0.0 113.088 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -51.17 62.37 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.289 -0.882 . . . . 0.0 111.917 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -55.43 -41.93 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.231 0.923 . . . . 0.0 111.369 173.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -56.24 -29.47 61.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.625 1.17 . . . . 0.0 114.011 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.5 mtm -76.42 -12.67 60.09 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.17 -5.32 9.52 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.454 1.502 . . . . 0.0 115.837 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -66.52 156.22 35.48 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.254 1.527 . . . . 0.0 111.978 171.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.0 m -82.17 149.22 28.05 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.118 -0.989 . . . . 0.0 111.871 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.86 -49.18 59.64 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.699 1.199 . . . . 0.0 112.973 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.61 -44.75 37.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.642 1.977 . . . . 0.0 112.789 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.89 -42.91 97.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.758 0.823 . . . . 0.0 110.781 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mm -70.35 -53.32 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 123.226 0.61 . . . . 0.0 110.901 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -38.22 72.36 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.93 176.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -62.21 -52.37 64.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.735 1.214 . . . . 0.0 111.977 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 tt -66.47 -32.65 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 118.921 0.782 . . . . 0.0 112.132 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mtt -66.61 -51.49 55.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.965 0.802 . . . . 0.0 113.133 174.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.87 -38.79 83.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.357 0.98 . . . . 0.0 111.775 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.78 -49.74 67.25 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.425 -0.797 . . . . 0.0 113.116 171.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -55.02 -48.19 73.7 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.286 0.948 . . . . 0.0 111.548 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.91 -48.55 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.965 0.906 . . . . 0.0 111.011 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -64.7 -50.53 66.58 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.057 0.943 . . . . 0.0 113.402 -177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.3 mm -74.94 -53.83 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.931 1.692 . . . . 0.0 111.679 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 t -88.14 -20.43 25.65 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.5 1.12 . . . . 0.0 113.916 -171.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.61 -12.67 68.46 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 125.884 1.707 . . . . 0.0 115.348 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.6 p -149.88 154.96 39.2 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.867 1.667 . . . . 0.0 111.837 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -78.58 168.05 20.34 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.338 1.055 . . . . 0.0 112.677 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -61.06 155.2 20.86 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.394 1.477 . . . . 0.0 112.988 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -126.95 -4.97 6.28 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.482 1.513 . . . . 0.0 114.778 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.6 t -143.72 149.09 36.65 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.748 1.619 . . . . 0.0 110.151 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.6 -30.9 70.98 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 118.944 -0.55 . . . . 0.0 111.564 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -55.62 -55.48 31.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.525 1.13 . . . . 0.0 112.396 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.63 -37.63 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.273 0.629 . . . . 0.0 111.801 175.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -56.29 24.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.306 1.042 . . . . 0.0 111.447 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.78 -33.02 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.308 1.043 . . . . 0.0 112.815 -175.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.63 70.93 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.838 0.855 . . . . 0.0 111.517 171.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.14 -36.21 83.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 118.713 -0.66 . . . . 0.0 112.299 176.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.0 mt -56.47 -60.59 3.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.288 1.035 . . . . 0.0 111.764 173.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -58.51 -39.2 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 119.34 0.973 . . . . 0.0 111.912 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.91 -49.12 78.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.222 1.009 . . . . 0.0 112.743 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.3 -27.77 66.59 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.564 1.146 . . . . 0.0 113.388 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -73.98 -21.39 60.02 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.701 1.2 . . . . 0.0 113.42 173.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -76.05 174.62 9.79 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.511 1.051 . . . . 0.0 111.764 169.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.08 36.33 26.73 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.427 1.491 . . . . 0.0 113.454 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.78 156.1 9.27 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 127.0 2.12 . . . . 0.0 113.921 -174.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 99.1 mmm -67.65 151.7 46.85 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.798 0.839 . . . . 0.0 112.186 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -76.54 135.77 39.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.476 0.711 . . . . 0.0 112.131 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -164.36 -173.29 3.03 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 127.348 2.259 . . . . 0.0 112.001 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -140.05 145.47 37.76 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.12 1.368 . . . . 0.0 111.971 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 97.6 p -149.88 161.48 42.2 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.499 1.52 . . . . 0.0 111.735 166.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.9 p -91.26 160.78 15.34 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.807 1.243 . . . . 0.0 111.812 168.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -149.91 146.18 26.93 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.213 1.405 . . . . 0.0 110.585 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.2 p -136.64 131.02 33.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.351 1.461 . . . . 0.0 112.446 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 64.1 m -137.79 165.91 25.3 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.256 1.822 . . . . 0.0 112.279 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.1 mt -100.01 118.77 37.1 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.972 1.709 . . . . 0.0 111.864 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -91.03 -37.05 13.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.693 1.197 . . . . 0.0 113.159 175.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -72.5 118.81 15.86 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.761 1.624 . . . . 0.0 111.14 -177.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -142.68 175.67 9.63 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.17 1.788 . . . . 0.0 110.839 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.7 mm -56.68 139.38 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.833 1.253 . . . . 0.0 110.672 171.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.9 t -133.05 138.31 46.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.761 1.624 . . . . 0.0 110.96 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.3 t -58.1 -21.12 44.78 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.126 1.37 . . . . 0.0 114.283 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -59.96 -29.02 68.14 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.982 0.913 . . . . 0.0 112.752 173.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -73.41 -39.61 64.92 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.964 -1.085 . . . . 0.0 111.679 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -63.02 -24.37 67.89 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.263 -0.898 . . . . 0.0 113.156 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.1 -29.74 68.79 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 119.557 1.071 . . . . 0.0 113.063 171.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -73.27 -21.01 60.7 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.27 0.941 . . . . 0.0 113.259 174.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -28.94 61.71 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.615 1.566 . . . . 0.0 112.226 176.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.7 mt -56.71 -46.61 81.14 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.357 1.463 . . . . 0.0 113.25 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 51.76 30.93 7.43 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.376 1.87 . . . . 0.0 113.885 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.09 90.64 3.43 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.334 1.853 . . . . 0.0 110.909 -175.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -64.04 124.16 20.89 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.147 1.379 . . . . 0.0 111.319 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -142.26 159.76 41.59 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.321 1.448 . . . . 0.0 113.144 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--O 1.251 1.173 0 C-N-CA 126.875 2.07 . . . . 0.0 110.727 177.348 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.414 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -126.69 164.32 21.56 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.379 1.871 . . . . 0.0 111.581 178.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.62 -60.94 0.19 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.54 1.536 . . . . 0.0 111.812 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.5 mtm -69.91 163.89 24.99 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.98 1.312 . . . . 0.0 112.111 174.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.54 158.48 44.33 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.186 1.394 . . . . 0.0 112.391 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -108.36 78.3 1.16 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.184 1.394 . . . . 0.0 111.72 -173.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 pt -80.05 -8.64 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.609 1.164 . . . . 0.0 114.133 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.24 -111.85 3.41 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.146 1.355 . . . . 0.0 112.112 -173.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 t -150.35 176.96 10.42 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.093 1.357 . . . . 0.0 112.257 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -125.12 -66.02 0.99 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.273 1.829 . . . . 0.0 111.794 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -69.72 159.42 33.54 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.921 0.888 . . . . 0.0 112.666 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -123.3 80.92 1.83 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.673 1.589 . . . . 0.0 110.934 -177.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -76.78 150.71 36.16 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.107 0.963 . . . . 0.0 111.432 167.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.1 p -145.33 161.1 43.11 Favored Pre-proline 0 N--CA 1.48 1.059 0 C-N-CA 125.832 1.653 . . . . 0.0 111.694 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -70.72 175.98 8.14 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 123.225 2.617 . . . . 0.0 112.597 172.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 t -52.14 141.43 18.61 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.862 1.665 . . . . 0.0 114.004 -175.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.04 115.89 28.26 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.876 1.671 . . . . 0.0 110.793 -177.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 m -132.36 143.32 49.76 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.898 1.279 . . . . 0.0 110.57 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -0.86 8.34 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -52.63 110.41 0.51 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.561 2.345 . . . . 0.0 111.853 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.8 pt -71.6 176.7 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.05 1.34 . . . . 0.0 112.546 176.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -148.47 140.54 23.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.406 1.482 . . . . 0.0 110.215 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -61.74 -19.14 62.11 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.83 -1.168 . . . . 0.0 112.879 170.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.8 m -63.72 -24.93 67.97 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.023 -1.048 . . . . 0.0 113.026 170.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.85 -49.6 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.244 1.017 . . . . 0.0 110.236 170.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -70.06 -44.36 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.064 0.946 . . . . 0.0 112.635 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -71.92 -17.42 62.1 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -129.17 96.4 28.56 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.45 1.1 . . . . 0.0 111.228 -171.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.21 -16.42 48.58 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.392 2.728 . . . . 0.0 114.712 -167.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtp -60.01 -20.12 56.1 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.988 1.315 . . . . 0.0 113.471 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.88 -57.74 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 123.87 0.868 . . . . 0.0 110.858 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -55.23 -39.79 70.1 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.583 0.628 . . . . 0.0 112.202 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -60.76 -40.05 91.05 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.368 1.467 . . . . 0.0 113.209 174.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.78 63.31 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.48 -0.763 . . . . 0.0 112.191 175.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -55.2 -41.04 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.419 1.008 . . . . 0.0 111.32 174.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 -59.87 -24.03 63.91 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.8 mtm -78.63 -11.74 59.98 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 171.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.01 -4.27 9.74 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.71 1.624 . . . . 0.0 115.823 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -69.68 166.34 19.36 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.094 1.447 . . . . 0.0 113.201 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 m -91.53 142.76 27.3 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.455 1.102 . . . . 0.0 112.173 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -51.05 -46.32 61.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.034 0.934 . . . . 0.0 112.739 172.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -64.27 -12.83 45.14 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -96.41 -35.42 11.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.07 0.85 . . . . 0.0 112.247 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mm -68.36 -50.01 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 119.464 1.029 . . . . 0.0 111.169 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -44.22 75.14 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.794 -0.566 . . . . 0.0 111.369 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -64.46 -54.16 36.88 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.366 1.466 . . . . 0.0 111.444 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 tt -62.44 -35.19 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 118.543 0.611 . . . . 0.0 111.99 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.3 mtt -66.63 -53.99 28.12 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.073 0.852 . . . . 0.0 113.169 173.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.49 -35.37 75.76 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.925 1.239 . . . . 0.0 112.323 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.67 -49.76 67.41 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.276 1.031 . . . . 0.0 111.768 172.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -54.83 -49.63 70.56 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.347 1.459 . . . . 0.0 112.188 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.6 mt -59.66 -45.25 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.74 0.816 . . . . 0.0 110.617 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -63.67 -50.83 67.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.267 1.027 . . . . 0.0 112.787 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.9 mm -72.88 -51.53 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.703 1.601 . . . . 0.0 112.307 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 t -92.23 -40.45 10.96 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.171 1.389 . . . . 0.0 113.556 -170.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.8 -15.76 13.97 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 125.763 1.649 . . . . 0.0 115.427 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.0 m -139.32 147.27 41.36 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.897 1.679 . . . . 0.0 111.009 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -74.2 166.68 23.02 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.235 0.541 . . . . 0.0 111.96 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -65.06 141.52 58.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.625 1.17 . . . . 0.0 112.266 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -121.37 -5.13 9.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.905 1.682 . . . . 0.0 115.238 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 m -136.14 145.52 45.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.752 1.221 . . . . 0.0 110.97 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 mp -55.87 -46.66 78.23 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.468 1.107 . . . . 0.0 111.172 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.55 -55.35 19.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.286 1.435 . . . . 0.0 112.996 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.34 -38.32 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 122.975 0.51 . . . . 0.0 112.146 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -55.67 29.08 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.774 0.829 . . . . 0.0 110.658 177.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.69 -34.99 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.023 0.929 . . . . 0.0 112.875 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.21 82.83 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.571 0.748 . . . . 0.0 111.506 171.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -64.72 -38.57 91.43 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.998 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.8 mt -57.51 -57.03 14.49 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 120.045 1.293 . . . . 0.0 112.411 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 m -63.87 -20.33 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -82.48 -49.47 9.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.176 0.99 . . . . 0.0 112.336 173.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.74 71.81 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.232 1.413 . . . . 0.0 113.698 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -73.31 -12.97 61.02 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 176.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -70.98 162.68 28.97 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.127 0.876 . . . . 0.0 111.078 174.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -135.99 156.67 48.39 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.103 1.361 . . . . 0.0 110.833 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.1 t -71.42 -43.12 67.35 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.003 1.321 . . . . 0.0 111.845 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 96.8 mmm -71.4 153.23 42.45 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.566 1.146 . . . . 0.0 111.568 173.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -130.68 45.82 2.76 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.324 1.45 . . . . 0.0 110.739 177.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -70.26 96.31 1.1 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.543 1.537 . . . . 0.0 111.563 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -125.53 142.64 51.4 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.777 1.631 . . . . 0.0 111.35 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.6 m -142.38 108.94 5.33 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.955 1.702 . . . . 0.0 110.532 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -137.66 156.83 47.61 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.363 1.465 . . . . 0.0 111.748 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -125.35 85.27 2.38 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.81 1.644 . . . . 0.0 110.236 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.8 p -132.59 161.37 34.04 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.353 1.861 . . . . 0.0 111.376 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.4 p -123.14 2.75 9.27 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.877 1.671 . . . . 0.0 113.835 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.18 -22.13 62.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.654 1.582 . . . . 0.0 114.679 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -66.94 156.42 35.92 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.299 1.04 . . . . 0.0 112.417 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.87 167.99 18.02 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.852 1.661 . . . . 0.0 112.496 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -134.77 149.95 50.48 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.366 1.866 . . . . 0.0 110.505 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.6 tt -151.67 144.7 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.864 1.266 . . . . 0.0 111.203 175.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.9 m -145.32 114.02 6.8 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.617 1.567 . . . . 0.0 111.206 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 p -61.1 -24.41 66.23 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.355 1.062 . . . . 0.0 113.459 173.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -57.59 -41.5 81.31 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.644 1.177 . . . . 0.0 112.474 172.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -66.24 -29.16 69.36 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.263 -0.898 . . . . 0.0 112.883 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -70.44 -47.13 62.15 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.63 0.772 . . . . 0.0 110.813 173.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.55 -31.26 72.22 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.609 1.164 . . . . 0.0 113.197 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -46.64 80.37 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.365 1.466 . . . . 0.0 111.79 173.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -70.39 -24.31 62.92 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 175.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -46.45 79.93 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.692 1.197 . . . . 0.0 111.494 177.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -68.09 101.85 1.22 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.387 1.475 . . . . 0.0 112.756 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.58 156.5 36.73 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.857 1.263 . . . . 0.0 113.306 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -78.25 -56.45 4.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.891 1.276 . . . . 0.0 112.259 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -68.16 131.43 45.38 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.91 1.284 . . . . 0.0 111.988 -176.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.592 1.957 . . . . 0.0 112.775 178.168 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -151.14 170.46 19.39 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.037 1.735 . . . . 0.0 110.776 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.54 164.41 18.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.601 1.56 . . . . 0.0 112.69 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 9.4 tpt -76.22 -64.93 0.99 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.563 1.145 . . . . 0.0 111.635 175.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.63 139.08 58.73 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.827 0.822 . . . . 0.0 113.068 -173.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -109.32 -20.01 13.09 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.067 1.747 . . . . 0.0 113.903 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 tp -70.46 -26.19 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.006 1.322 . . . . 0.0 112.997 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.42 -134.18 42.02 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.114 0.864 . . . . 0.0 112.922 -176.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 m 51.18 54.73 10.65 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.451 1.901 . . . . 0.0 113.787 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -52.3 -56.77 12.63 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.267 2.227 . . . . 0.0 113.232 -174.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.2 t80 50.43 24.85 1.69 Allowed 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 127.138 2.175 . . . . 0.0 115.532 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -138.57 -175.7 4.22 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.053 2.141 . . . . 0.0 111.473 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -57.96 166.57 1.45 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.402 1.481 . . . . 0.0 113.235 172.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 45.7 p -59.53 152.15 57.2 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 125.753 1.621 . . . . 0.0 113.389 -176.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -71.67 158.11 54.18 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.566 2.844 . . . . 0.0 111.921 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 m -69.91 167.92 16.37 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.848 1.259 . . . . 0.0 112.219 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.71 14.11 32.92 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.035 1.334 . . . . 0.0 112.847 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -78.55 -54.02 6.59 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.995 1.318 . . . . 0.0 113.662 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -157.13 -54.52 0.08 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -62.37 153.43 31.15 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.268 1.027 . . . . 0.0 110.717 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 pt -135.41 -178.56 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 126.479 1.911 . . . . 0.0 110.012 175.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.73 116.11 4.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.139 0.976 . . . . 0.0 110.03 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -61.55 -22.36 65.1 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.852 -1.155 . . . . 0.0 112.955 -177.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.0 m -55.07 -29.99 58.7 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.55 1.54 . . . . 0.0 113.192 168.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.09 -42.58 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.481 1.112 . . . . 0.0 110.911 173.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -76.56 -41.39 46.67 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.607 0.763 . . . . 0.0 112.46 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -69.64 -20.32 63.6 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.85 95.47 31.82 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.096 1.358 . . . . 0.0 111.501 -168.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.37 -18.77 49.97 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.32 2.68 . . . . 0.0 114.28 -170.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.5 mtp -59.02 -23.22 61.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.391 1.476 . . . . 0.0 112.961 171.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.52 -58.49 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.15 0.98 . . . . 0.0 110.823 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -46.85 -48.33 21.02 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.248 1.419 . . . . 0.0 112.05 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -60.6 -40.59 92.34 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.868 1.667 . . . . 0.0 113.427 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.9 77.66 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.068 -1.02 . . . . 0.0 112.303 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -55.44 -41.77 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 119.46 1.027 . . . . 0.0 111.138 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -56.33 -33.97 66.12 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.3 mtm -67.09 -22.04 65.84 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.73 2.7 5.22 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.304 1.43 . . . . 0.0 116.327 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -72.78 167.89 19.94 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.018 1.409 . . . . 0.0 113.217 173.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.0 m -91.83 139.31 30.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.642 1.577 . . . . 0.0 112.202 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -49.66 -48.99 49.02 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.647 1.179 . . . . 0.0 113.443 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -50.79 -50.55 55.9 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.62 1.568 . . . . 0.0 111.936 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -62.2 -43.28 99.18 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.327 0.651 . . . . 0.0 112.38 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.3 mm -64.56 -51.88 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.471 0.578 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -34.48 77.73 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.836 -0.54 . . . . 0.0 111.813 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -65.54 -50.93 63.38 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.109 1.363 . . . . 0.0 111.012 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 tt -64.79 -36.93 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 118.951 -0.547 . . . . 0.0 112.07 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmt -58.85 -56.84 17.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.116 0.967 . . . . 0.0 112.409 172.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.47 -40.39 94.35 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.786 0.721 . . . . 0.0 112.442 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -45.76 83.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.243 0.929 . . . . 0.0 113.039 172.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -55.19 -52.31 63.74 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.909 1.231 . . . . 0.0 111.331 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.0 mt -62.55 -44.83 99.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 123.653 0.781 . . . . 0.0 110.856 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -62.61 -43.99 97.43 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.2 mm -81.26 -51.92 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.136 1.374 . . . . 0.0 111.654 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -86.16 -25.73 25.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.755 1.222 . . . . 0.0 114.136 -172.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.85 -5.45 69.23 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.392 1.472 . . . . 0.0 115.682 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -145.71 166.57 25.46 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.329 1.452 . . . . 0.0 112.682 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -77.37 166.96 22.46 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.444 1.098 . . . . 0.0 113.044 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -56.24 141.08 42.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.768 1.627 . . . . 0.0 113.365 172.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -69.14 -55.43 10.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.754 1.221 . . . . 0.0 112.532 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.2 m -148.41 169.96 19.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.869 2.068 . . . . 0.0 110.646 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.36 -34.87 67.06 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.393 0.677 . . . . 0.0 112.209 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -49.64 -50.32 43.64 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.802 1.241 . . . . 0.0 112.772 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.6 t -71.13 -40.94 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.12 0.968 . . . . 0.0 110.801 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -56.57 20.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.766 1.226 . . . . 0.0 111.309 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.9 -32.96 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.755 1.222 . . . . 0.0 112.86 -177.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.3 -53.6 50.26 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.636 0.774 . . . . 0.0 111.645 171.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -60.93 -36.97 80.73 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.756 -0.59 . . . . 0.0 111.901 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -56.86 -61.69 2.26 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.718 1.207 . . . . 0.0 112.56 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.75 -35.01 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.029 0.831 . . . . 0.0 111.965 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -68.42 -43.2 77.71 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.003 0.921 . . . . 0.0 112.802 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.36 83.53 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.081 0.952 . . . . 0.0 112.298 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -80.96 8.01 9.38 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.005 1.722 . . . . 0.0 114.646 176.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -61.56 96.47 0.06 Allowed 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 120.084 1.311 . . . . 0.0 112.247 173.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -154.04 -172.38 4.2 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 127.776 2.43 . . . . 0.0 109.456 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.2 t -59.55 167.9 1.82 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.848 1.259 . . . . 0.0 112.81 167.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -56.15 137.29 51.92 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.687 1.595 . . . . 0.0 112.151 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -146.97 168.06 22.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.6 1.56 . . . . 0.0 110.939 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.76 130.46 46.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.65 1.18 . . . . 0.0 112.719 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -151.05 172.32 15.93 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.044 1.738 . . . . 0.0 112.292 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.2 m -125.58 174.13 8.47 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.039 1.736 . . . . 0.0 111.392 174.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.8 p -154.04 132.17 11.8 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.034 1.334 . . . . 0.0 111.652 170.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -152.56 170.79 19.31 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.883 1.273 . . . . 0.0 111.342 175.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.8 p -61.73 164.89 5.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.098 1.359 . . . . 0.0 112.456 171.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.49 172.93 15.78 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.115 0.966 . . . . 0.0 113.152 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -137.37 -178.62 5.3 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.743 1.617 . . . . 0.0 112.534 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -142.9 168.78 18.9 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.351 1.061 . . . . 0.0 112.022 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.69 169.7 9.6 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.905 2.082 . . . . 0.0 111.741 -178.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -120.45 165.3 15.13 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.273 1.429 . . . . 0.0 111.639 174.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 52.9 mt -134.6 145.95 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.695 1.598 . . . . 0.0 108.355 -178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.5 p -71.28 38.99 0.06 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.911 2.084 . . . . 0.0 114.108 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.3 p -57.37 -23.26 48.02 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.173 1.389 . . . . 0.0 113.435 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -54.22 -27.93 37.69 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.944 1.297 . . . . 0.0 113.866 170.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -75.88 -31.47 59.25 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.425 1.09 . . . . 0.0 112.18 174.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -68.12 -24.79 65.05 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.626 1.171 . . . . 0.0 112.414 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.09 -24.58 66.34 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.295 -0.878 . . . . 0.0 112.952 176.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -60.69 -26.75 67.34 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.79 1.177 . . . . 0.0 113.514 172.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.26 -19.69 63.49 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.626 1.57 . . . . 0.0 112.687 176.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.47 -27.5 69.32 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.369 1.068 . . . . 0.0 113.53 172.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -77.45 100.21 5.92 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.061 0.944 . . . . 0.0 110.994 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -141.1 164.8 29.28 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.33 1.452 . . . . 0.0 112.293 175.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -138.75 172.47 12.82 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.172 1.789 . . . . 0.0 111.321 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -124.52 172.7 8.99 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.161 1.784 . . . . 0.0 112.442 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.253 1.267 0 C-N-CA 126.408 1.883 . . . . 0.0 112.161 173.673 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.403 HG21 ' HB3' ' A' ' 48' ' ' MET . 9.5 m -69.84 -25.26 63.66 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.825 -1.172 . . . . 0.0 112.726 174.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.13 -49.25 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.118 0.967 . . . . 0.0 110.5 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -72.81 -44.35 61.59 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -70.74 -19.37 62.74 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -174.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -131.76 96.21 21.17 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 124.535 1.134 . . . . 0.0 111.926 -171.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.32 -13.96 39.03 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 123.681 2.921 . . . . 0.0 115.192 -166.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.9 mtp -57.64 -24.74 58.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.525 1.13 . . . . 0.0 112.939 171.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.14 -56.36 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 123.834 0.854 . . . . 0.0 111.248 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.24 -37.4 74.84 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -61.59 -38.67 88.43 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.204 1.002 . . . . 0.0 112.731 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.86 -52.89 61.36 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.61 -0.681 . . . . 0.0 112.059 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.57 -41.34 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.503 1.047 . . . . 0.0 111.596 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.72 -26.69 57.61 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.819 1.247 . . . . 0.0 114.227 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.8 mtm -78.33 -10.29 59.61 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.34 -2.39 14.14 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.872 1.701 . . . . 0.0 115.436 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -67.95 163.09 22.91 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.219 1.51 . . . . 0.0 112.755 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 m -88.55 143.18 27.12 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.219 1.408 . . . . 0.0 112.057 176.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -53.47 -46.14 69.84 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.962 0.905 . . . . 0.0 113.098 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -45.67 70.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.638 1.575 . . . . 0.0 112.327 176.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -43.19 99.31 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.48 0.712 . . . . 0.0 111.629 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.75 -49.03 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 118.022 0.374 . . . . 0.0 111.718 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -38.76 77.67 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.102 0.865 . . . . 0.0 111.746 175.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -50.75 66.26 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.275 1.03 . . . . 0.0 111.71 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 tt -66.56 -37.57 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 118.331 0.514 . . . . 0.0 112.018 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.403 ' HB3' HG21 ' A' ' 24' ' ' THR . 14.8 mmt -60.58 -59.03 6.05 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.948 0.899 . . . . 0.0 111.919 173.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.41 -40.34 82.18 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.138 0.881 . . . . 0.0 112.32 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -66.85 -46.76 74.03 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.937 0.895 . . . . 0.0 112.129 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -57.88 -48.69 79.1 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.005 0.922 . . . . 0.0 112.151 175.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.4 mt -63.24 -44.8 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.835 0.854 . . . . 0.0 110.784 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -59.79 -43.07 94.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.416 1.086 . . . . 0.0 113.058 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 mm -84.11 -52.89 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 124.744 1.217 . . . . 0.0 112.259 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.2 t -85.15 -33.44 22.33 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.916 1.286 . . . . 0.0 114.018 -173.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.27 -12.12 28.65 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.864 1.697 . . . . 0.0 115.616 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -150.6 169.46 21.5 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.191 1.495 . . . . 0.0 113.52 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.21 170.38 8.74 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.428 1.491 . . . . 0.0 112.913 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -62.41 149.21 43.12 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.85 1.26 . . . . 0.0 113.146 171.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -72.4 -53.38 12.42 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.659 1.583 . . . . 0.0 113.031 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.44 164.84 32.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.058 1.743 . . . . 0.0 110.979 -175.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.72 -35.29 72.43 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 118.726 -0.654 . . . . 0.0 112.094 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -49.2 -52.2 28.26 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.823 1.249 . . . . 0.0 112.664 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.57 -42.3 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.861 0.864 . . . . 0.0 110.988 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -55.62 32.39 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.036 0.934 . . . . 0.0 111.451 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.3 m -69.67 -34.14 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.596 1.159 . . . . 0.0 113.041 -176.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.91 -49.63 75.42 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.573 0.749 . . . . 0.0 111.409 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.14 -35.31 80.13 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.2 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.73 -57.66 11.77 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.665 1.121 . . . . 0.0 112.445 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.7 m -60.65 -40.16 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 118.725 0.693 . . . . 0.0 111.616 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.41 -51.99 67.53 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.896 0.771 . . . . 0.0 112.255 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.7 91.58 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.937 0.895 . . . . 0.0 113.136 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? . . . . . 0 CA--C 1.546 0.82 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.538 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 m -61.71 -30.88 71.05 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.883 1.273 . . . . 0.0 112.456 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.21 -46.3 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.08 1.352 . . . . 0.0 110.331 174.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -71.7 -45.32 62.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.669 0.788 . . . . 0.0 112.298 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -72.55 -18.51 61.62 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -172.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -132.14 96.8 19.13 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 124.288 1.035 . . . . 0.0 112.021 -172.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.79 -15.29 43.86 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.496 2.797 . . . . 0.0 115.199 -166.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 42.7 mtp -57.5 -23.43 50.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.792 1.237 . . . . 0.0 113.1 172.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -56.51 -54.59 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.34 1.056 . . . . 0.0 111.127 176.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -57.23 -40.57 77.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.406 0.683 . . . . 0.0 112.05 -176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.4 -36.9 85.25 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.149 1.38 . . . . 0.0 113.048 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.43 -52.78 60.04 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.265 -0.897 . . . . 0.0 111.908 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -56.5 -39.68 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.264 0.938 . . . . 0.0 111.59 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -55.81 -32.92 63.96 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.213 1.005 . . . . 0.0 113.66 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.3 mtm -74.19 -10.29 59.46 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.3 -2.99 14.09 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.753 1.644 . . . . 0.0 115.568 176.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -68.86 161.98 27.46 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.028 1.414 . . . . 0.0 112.946 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.1 m -86.97 138.86 31.16 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.425 1.49 . . . . 0.0 112.147 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.61 -47.98 58.04 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.162 0.985 . . . . 0.0 112.956 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -30.64 68.92 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.306 1.043 . . . . 0.0 113.613 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -79.19 -33.64 43.72 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.725 -0.655 . . . . 0.0 112.475 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -69.35 -50.04 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-N 119.343 0.974 . . . . 0.0 111.081 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -41.94 79.48 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 118.713 -0.66 . . . . 0.0 111.588 175.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -60.67 -54.61 43.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.244 1.018 . . . . 0.0 111.935 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.7 tt -64.84 -37.29 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 118.532 0.606 . . . . 0.0 112.24 -177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.9 mtt -67.34 -50.69 58.93 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.244 0.929 . . . . 0.0 112.781 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -59.72 -40.22 87.28 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.756 1.162 . . . . 0.0 111.767 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -66.77 -45.73 77.55 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.557 1.143 . . . . 0.0 112.129 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -54.32 -52.93 59.96 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.168 1.387 . . . . 0.0 111.784 173.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -60.67 -46.68 95.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.879 0.872 . . . . 0.0 110.612 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -60.17 -40.64 90.65 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.042 0.937 . . . . 0.0 112.978 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.4 mm -82.43 -55.74 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.974 1.31 . . . . 0.0 112.047 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 t -77.92 -38.27 45.91 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.749 1.22 . . . . 0.0 113.776 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.26 -12.17 51.67 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 126.081 1.8 . . . . 0.0 114.73 -175.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.5 m -137.9 157.41 46.46 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.178 1.791 . . . . 0.0 111.741 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -85.47 171.67 11.6 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.205 1.002 . . . . 0.0 112.244 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -63.57 156.55 26.22 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.235 1.414 . . . . 0.0 112.964 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -127.74 -17.48 4.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.783 1.633 . . . . 0.0 115.349 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.0 m -140.76 150.17 43.05 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.829 1.651 . . . . 0.0 110.057 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.09 -33.49 75.56 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.737 -0.649 . . . . 0.0 111.993 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -50.49 -55.63 15.17 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.679 1.191 . . . . 0.0 112.77 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.8 m -65.76 -36.42 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -56.26 19.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.435 0.694 . . . . 0.0 110.883 178.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.5 m -70.35 -33.31 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.648 1.179 . . . . 0.0 113.131 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.67 -51.23 68.03 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.494 0.717 . . . . 0.0 111.457 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -33.77 76.66 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.499 -0.762 . . . . 0.0 112.005 177.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.9 mt -56.72 -61.01 2.72 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.835 1.198 . . . . 0.0 112.1 170.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -60.42 -30.66 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 119.454 1.025 . . . . 0.0 112.753 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -72.69 -41.93 64.77 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.737 0.815 . . . . 0.0 112.747 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.37 -27.82 65.65 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.35 1.06 . . . . 0.0 113.156 175.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 . . . . . 0 CA--C 1.546 0.826 0 C-N-CA 125.334 1.454 . . . . 0.0 114.009 173.74 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.7 m -54.27 -35.22 62.31 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.123 1.769 . . . . 0.0 113.02 174.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.0 mt -67.56 -37.18 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.745 1.618 . . . . 0.0 111.617 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -77.59 -48.27 17.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.973 1.309 . . . . 0.0 112.242 -178.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -70.88 -19.53 62.61 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -130.15 96.03 26.33 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 124.439 1.096 . . . . 0.0 111.64 -170.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.55 -17.26 48.42 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.311 2.674 . . . . 0.0 115.028 -166.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.3 mtp -58.19 -22.72 52.86 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.67 1.188 . . . . 0.0 113.624 172.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.0 t -56.84 -56.83 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 123.677 0.791 . . . . 0.0 110.808 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -54.65 -39.64 68.23 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.857 1.263 . . . . 0.0 111.966 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.41 -36.54 84.48 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.764 1.226 . . . . 0.0 113.561 174.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.43 71.66 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.261 -0.9 . . . . 0.0 111.859 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.18 -40.7 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.242 0.928 . . . . 0.0 111.346 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -56.81 -30.75 64.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.27 1.028 . . . . 0.0 113.74 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.7 mtm -76.53 -10.97 59.78 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.11 -4.06 12.67 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.734 1.635 . . . . 0.0 115.619 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -68.42 162.86 24.53 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.273 1.537 . . . . 0.0 112.587 173.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 m -89.2 141.72 28.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.938 1.295 . . . . 0.0 112.16 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -50.12 -48.08 53.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.34 1.056 . . . . 0.0 113.111 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -29.44 70.22 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -75.36 -37.97 60.35 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.839 0.745 . . . . 0.0 111.925 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.79 -49.23 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 119.004 0.82 . . . . 0.0 111.173 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -40.98 76.77 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.681 -0.637 . . . . 0.0 111.657 174.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -48.6 71.71 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.75 1.22 . . . . 0.0 111.917 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 tt -67.86 -33.09 59.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.247 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.2 mtt -68.73 -51.21 43.94 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.475 1.034 . . . . 0.0 113.332 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.21 -37.73 75.39 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.929 1.24 . . . . 0.0 111.956 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -52.86 50.64 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.377 1.071 . . . . 0.0 111.437 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -51.66 -52.18 50.02 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.264 1.426 . . . . 0.0 111.777 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.67 -49.62 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.552 0.741 . . . . 0.0 110.649 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -62.34 -39.01 91.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.208 1.003 . . . . 0.0 113.625 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.7 mm -85.31 -52.4 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.421 1.489 . . . . 0.0 111.872 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 t -87.7 -26.79 22.78 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.558 1.543 . . . . 0.0 114.237 -171.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.12 -6.56 72.5 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.614 1.578 . . . . 0.0 115.638 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.7 p -144.42 148.03 34.11 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.839 1.656 . . . . 0.0 111.673 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -77.76 168.08 20.52 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.231 0.612 . . . . 0.0 111.848 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -65.14 140.84 58.83 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.787 1.235 . . . . 0.0 112.384 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -114.67 -13.22 12.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.099 1.76 . . . . 0.0 114.876 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.1 m -134.63 145.99 49.12 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.513 1.525 . . . . 0.0 110.912 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.55 -39.25 87.26 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.275 0.63 . . . . 0.0 112.028 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.1 -57.0 10.9 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.154 1.382 . . . . 0.0 112.832 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.74 -36.67 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.298 0.639 . . . . 0.0 112.094 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -56.91 16.02 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.308 1.043 . . . . 0.0 110.887 176.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 m -72.22 -33.44 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.153 0.981 . . . . 0.0 112.911 -174.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.25 82.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.686 0.795 . . . . 0.0 111.418 170.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -65.39 -38.1 88.97 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.637 -0.697 . . . . 0.0 112.17 175.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.9 mt -56.75 -54.13 49.78 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.786 1.175 . . . . 0.0 112.405 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.6 m -63.18 -39.31 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 118.776 0.716 . . . . 0.0 112.095 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -62.31 -41.69 98.73 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.831 0.852 . . . . 0.0 112.625 175.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.11 -54.58 23.87 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.731 1.212 . . . . 0.0 112.135 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.281 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.1 m -62.6 -25.74 68.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.209 1.004 . . . . 0.0 112.994 172.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.406 HG12 HG11 ' A' ' 31' ' ' VAL . 43.9 mt -61.78 -48.76 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.347 1.059 . . . . 0.0 110.478 171.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -69.33 -44.3 71.97 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.119 0.568 . . . . 0.0 111.844 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -69.89 -22.64 63.21 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -125.29 96.89 38.32 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -171.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -66.98 -21.29 49.95 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.769 2.979 . . . . 0.0 114.137 -171.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 57.0 mtp -57.96 -23.11 52.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.762 1.225 . . . . 0.0 112.739 172.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.467 ' HA ' HG21 ' A' ' 44' ' ' ILE . 77.7 t -59.18 -59.08 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 123.35 0.66 . . . . 0.0 110.018 175.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -54.12 -42.57 69.61 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.626 0.77 . . . . 0.0 112.749 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -59.98 -41.48 92.1 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.555 1.142 . . . . 0.0 112.835 174.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.34 -55.48 33.08 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.887 0.767 . . . . 0.0 111.632 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -53.48 -41.77 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-N 120.269 1.395 . . . . 0.0 111.913 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -58.32 -25.74 62.24 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.552 1.141 . . . . 0.0 114.045 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.6 mtm -76.61 -3.98 40.58 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 171.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.68 9.64 28.32 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.527 1.537 . . . . 0.0 115.001 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' HB3' HD11 ' A' ' 44' ' ' ILE . 55.7 m-85 -76.2 175.72 8.74 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 118.737 1.268 . . . . 0.0 112.873 171.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 m -104.8 135.94 45.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.529 1.932 . . . . 0.0 110.828 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -52.02 -45.43 64.59 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.311 0.96 . . . . 0.0 112.813 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -44.3 68.45 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.276 1.43 . . . . 0.0 112.714 173.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.28 -40.5 86.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.552 0.614 . . . . 0.0 111.454 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.467 HG21 ' HA ' ' A' ' 31' ' ' VAL . 6.2 mm -68.03 -49.63 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 118.348 0.522 . . . . 0.0 111.725 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -41.68 90.38 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.328 -0.858 . . . . 0.0 112.069 175.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -62.56 -49.01 76.98 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.048 1.339 . . . . 0.0 111.812 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.584 HD11 ' HB3' ' A' ' 68' ' ' ASP . 10.5 tt -66.3 -38.5 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.263 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -57.3 12.51 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.167 0.894 . . . . 0.0 111.932 174.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.81 -44.29 81.84 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.667 0.667 . . . . 0.0 111.64 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -64.14 -48.2 76.98 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.062 0.945 . . . . 0.0 112.593 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -52.12 -53.98 36.06 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.702 1.201 . . . . 0.0 111.094 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.9 mt -68.83 -38.83 79.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 123.216 0.606 . . . . 0.0 110.903 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -63.92 -40.58 96.81 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.28 1.032 . . . . 0.0 112.881 176.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.3 mm -83.87 -54.48 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.084 1.354 . . . . 0.0 111.763 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.6 t -75.16 -48.58 22.97 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.872 1.669 . . . . 0.0 113.179 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.23 -10.33 24.52 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 126.161 1.838 . . . . 0.0 115.145 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.4 p -142.69 158.91 43.17 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.682 1.593 . . . . 0.0 112.421 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -71.02 174.04 6.75 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 112.353 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -65.9 152.4 44.56 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.208 1.403 . . . . 0.0 112.715 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -83.41 -55.55 4.25 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.478 1.511 . . . . 0.0 112.416 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.5 m -143.57 166.78 23.88 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.389 1.876 . . . . 0.0 110.834 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.87 -34.88 70.23 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.928 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -48.08 -51.43 24.46 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.564 1.075 . . . . 0.0 112.965 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.41 -40.09 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 122.927 0.491 . . . . 0.0 111.046 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -58.54 7.87 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.86 0.864 . . . . 0.0 111.263 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.3 m -65.72 -37.12 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.949 1.7 . . . . 0.0 112.379 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.13 -52.71 63.74 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.646 0.657 . . . . 0.0 111.232 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.584 ' HB3' HD11 ' A' ' 47' ' ' ILE . 16.6 m-20 -63.41 -36.21 82.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.594 -0.717 . . . . 0.0 111.731 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.34 -58.65 7.55 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.99 1.268 . . . . 0.0 111.952 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.2 m -62.06 -23.77 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 118.805 0.73 . . . . 0.0 112.956 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -87.06 -27.94 22.86 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.268 1.027 . . . . 0.0 113.72 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.84 -42.1 50.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.275 1.43 . . . . 0.0 111.922 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 175.884 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 . . . . . 0 CA--C 1.545 0.767 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.9 m -69.52 -21.85 63.63 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.786 -1.197 . . . . 0.0 112.835 171.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.11 -52.76 57.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.331 1.052 . . . . 0.0 110.199 170.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -69.98 -43.83 70.67 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -70.21 -18.21 63.16 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -131.76 93.34 28.11 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 124.219 1.008 . . . . 0.0 111.913 -170.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.61 -15.43 47.56 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.698 2.932 . . . . 0.0 115.085 -165.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.7 mtp -56.45 -23.73 40.8 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.296 1.438 . . . . 0.0 113.213 171.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.67 -58.08 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 124.633 1.173 . . . . 0.0 111.388 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -56.27 -38.99 71.93 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.781 0.832 . . . . 0.0 112.434 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -64.41 -33.85 76.81 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.75 1.22 . . . . 0.0 113.123 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.65 -51.56 58.57 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.098 -1.001 . . . . 0.0 112.078 173.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.33 -41.03 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.362 0.983 . . . . 0.0 111.34 175.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -55.02 -33.15 62.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.574 1.15 . . . . 0.0 113.855 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.8 mtm -75.37 -10.39 59.42 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.3 -3.52 13.92 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.481 1.515 . . . . 0.0 115.618 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -68.01 167.44 13.86 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.045 1.422 . . . . 0.0 112.13 171.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.3 m -101.31 143.47 31.33 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.74 1.216 . . . . 0.0 112.09 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.37 -46.86 56.26 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.56 1.144 . . . . 0.0 113.08 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -33.93 66.7 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.336 1.455 . . . . 0.0 113.756 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -76.17 -37.5 57.82 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.419 0.688 . . . . 0.0 112.319 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mm -69.31 -48.47 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 119.154 0.888 . . . . 0.0 111.113 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -40.92 84.74 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.692 -0.63 . . . . 0.0 111.83 175.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -53.18 60.51 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.951 1.7 . . . . 0.0 111.545 175.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 tt -67.33 -35.25 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 118.699 -0.667 . . . . 0.0 112.266 -177.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.7 mtt -67.98 -49.67 60.25 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.542 1.065 . . . . 0.0 112.89 174.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.54 -36.69 79.05 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.7 1.137 . . . . 0.0 111.936 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -53.78 39.58 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.044 0.937 . . . . 0.0 111.966 172.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -51.56 -51.86 51.94 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.385 1.474 . . . . 0.0 112.067 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -61.61 -48.31 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.65 0.78 . . . . 0.0 110.495 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -65.14 -35.12 80.09 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.4 mm -80.36 -61.38 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.431 1.492 . . . . 0.0 111.747 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -82.31 -25.96 33.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.197 1.399 . . . . 0.0 114.034 -168.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.02 -6.56 64.15 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.806 1.67 . . . . 0.0 115.284 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.5 p -144.13 162.15 37.02 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.774 1.63 . . . . 0.0 112.228 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -88.29 170.05 11.32 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.781 0.832 . . . . 0.0 111.901 175.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -61.24 150.74 33.68 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.435 1.494 . . . . 0.0 112.94 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -122.2 -17.6 7.11 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.7 m -143.11 150.2 39.15 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.166 1.786 . . . . 0.0 110.552 173.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.76 -38.73 79.12 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.357 0.663 . . . . 0.0 111.537 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -50.05 -48.04 53.13 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.955 1.302 . . . . 0.0 112.757 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.34 -44.7 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.056 0.942 . . . . 0.0 110.884 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -55.2 38.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.746 1.218 . . . . 0.0 111.127 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.53 -34.24 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.347 1.059 . . . . 0.0 112.932 -175.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.21 -49.06 77.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.485 0.714 . . . . 0.0 111.585 172.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -64.32 -39.29 93.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 118.817 -0.611 . . . . 0.0 112.0 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.0 mt -56.27 -55.41 33.63 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.37 1.068 . . . . 0.0 112.248 174.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -60.34 -44.5 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 118.972 0.805 . . . . 0.0 111.417 177.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -61.21 -37.76 84.16 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.002 0.819 . . . . 0.0 113.093 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.64 -43.35 69.39 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.773 1.229 . . . . 0.0 113.197 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 179.804 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 m -58.78 -28.32 65.83 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.828 1.251 . . . . 0.0 113.149 173.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.8 mt -58.22 -45.28 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.144 1.378 . . . . 0.0 111.178 171.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.64 -44.13 57.7 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.93 0.892 . . . . 0.0 112.178 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -71.6 -19.52 62.12 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -171.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -134.21 101.34 12.41 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.34 1.056 . . . . 0.0 112.229 -170.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.82 -15.28 40.39 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.395 2.73 . . . . 0.0 115.332 -167.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.4 mtp -60.09 -21.61 61.71 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.077 0.951 . . . . 0.0 112.825 171.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -60.27 -58.33 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.827 0.851 . . . . 0.0 111.02 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.25 -36.97 71.63 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.031 0.832 . . . . 0.0 112.683 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -62.88 -29.39 70.73 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.306 1.442 . . . . 0.0 113.388 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.27 -53.86 17.62 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.974 -1.079 . . . . 0.0 111.599 170.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -53.75 -40.07 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.117 0.871 . . . . 0.0 112.354 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.89 -23.17 60.72 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 mtm -81.05 -8.94 59.88 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.72 -3.5 17.4 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.709 1.623 . . . . 0.0 115.47 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -67.09 164.47 17.84 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.132 1.466 . . . . 0.0 112.36 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.3 m -99.11 138.66 35.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.827 1.251 . . . . 0.0 112.173 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -47.88 -48.84 31.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.115 1.366 . . . . 0.0 113.388 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -30.47 66.88 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.951 1.3 . . . . 0.0 114.056 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -77.95 -37.02 48.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.065 0.848 . . . . 0.0 111.574 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.98 -48.49 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 118.925 0.784 . . . . 0.0 111.144 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -42.76 85.45 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 118.859 0.754 . . . . 0.0 111.775 173.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -63.64 -40.55 97.15 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.201 1.401 . . . . 0.0 113.26 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.7 tt -76.32 -37.62 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.425 1.011 . . . . 0.0 112.171 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.6 mmt -58.12 -57.93 10.7 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.787 1.235 . . . . 0.0 111.965 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.28 -43.57 78.93 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.456 0.702 . . . . 0.0 111.828 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.34 -45.27 76.87 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.05 0.94 . . . . 0.0 112.217 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -55.33 -52.0 64.9 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.395 1.078 . . . . 0.0 111.301 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.06 -45.19 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.197 0.999 . . . . 0.0 110.887 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -61.17 -50.91 71.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.754 1.221 . . . . 0.0 113.056 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.8 mm -76.02 -53.86 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.306 1.443 . . . . 0.0 111.97 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.0 t -80.87 -34.61 33.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.426 1.09 . . . . 0.0 113.532 -174.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.04 -9.0 50.37 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.897 1.713 . . . . 0.0 114.986 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -141.35 161.98 36.59 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.418 1.487 . . . . 0.0 112.711 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -74.86 171.26 14.33 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.175 1.39 . . . . 0.0 111.933 175.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -64.21 149.34 48.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.875 1.67 . . . . 0.0 113.219 173.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -77.96 -58.76 3.09 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.583 1.553 . . . . 0.0 112.121 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 m -148.1 169.27 20.36 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 127.722 2.409 . . . . 0.0 110.194 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.9 -34.2 69.57 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.453 0.701 . . . . 0.0 112.667 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -50.69 -49.77 56.55 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.671 1.189 . . . . 0.0 112.779 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -69.27 -42.67 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.013 0.925 . . . . 0.0 110.727 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -55.58 33.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.111 1.365 . . . . 0.0 111.68 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.3 m -69.85 -33.14 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.064 0.946 . . . . 0.0 112.923 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.05 73.17 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.637 0.775 . . . . 0.0 111.456 172.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.66 -39.34 93.61 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.78 -0.629 . . . . 0.0 112.411 174.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.68 -59.27 5.09 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.284 0.947 . . . . 0.0 112.204 174.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.4 m -62.0 -34.46 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-N 118.81 0.732 . . . . 0.0 112.288 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -64.51 -44.82 89.73 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.144 0.978 . . . . 0.0 112.577 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.93 -32.64 69.6 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.815 1.246 . . . . 0.0 113.482 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 123.967 0.907 . . . . 0.0 112.828 173.47 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 m -61.27 -28.06 68.91 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.638 1.175 . . . . 0.0 112.881 174.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.6 mt -57.01 -46.38 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.515 1.126 . . . . 0.0 110.628 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.25 -41.69 60.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.324 0.65 . . . . 0.0 112.215 179.236 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -70.66 -21.93 62.55 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.78 97.15 27.84 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.315 1.046 . . . . 0.0 112.089 -168.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.34 -18.05 49.78 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.369 2.713 . . . . 0.0 114.427 -170.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.8 mtp -56.79 -24.91 53.87 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.238 1.415 . . . . 0.0 113.093 171.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.54 -58.61 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.398 1.079 . . . . 0.0 111.002 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -51.87 -44.11 63.57 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 112.021 -178.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -62.21 -37.41 85.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.131 1.373 . . . . 0.0 113.335 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.66 46.91 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.119 0.872 . . . . 0.0 112.08 174.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.41 -39.6 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.583 1.083 . . . . 0.0 111.516 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.7 ttm-85 -59.4 -22.36 61.31 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.7 mtm -81.29 -8.9 59.82 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 171.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.25 -1.41 18.96 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.725 1.631 . . . . 0.0 115.53 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -68.38 166.72 16.07 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.076 1.438 . . . . 0.0 112.786 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -94.44 139.75 30.72 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.282 1.433 . . . . 0.0 112.143 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.35 -46.71 62.78 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.403 1.081 . . . . 0.0 112.957 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -51.81 -48.23 63.94 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.085 1.754 . . . . 0.0 112.469 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.42 -36.65 83.36 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.248 0.619 . . . . 0.0 112.485 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -68.51 -51.48 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 119.17 0.895 . . . . 0.0 111.496 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -39.19 79.78 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.025 0.829 . . . . 0.0 111.92 176.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -62.42 -51.19 68.52 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.378 1.071 . . . . 0.0 111.813 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -66.08 -37.67 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 118.767 -0.635 . . . . 0.0 112.298 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 mtt -65.33 -51.67 59.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.277 0.944 . . . . 0.0 112.689 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.74 -40.04 93.71 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.987 0.812 . . . . 0.0 111.944 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.62 -49.41 71.19 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.869 0.759 . . . . 0.0 112.13 174.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -53.39 -54.14 41.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.753 1.221 . . . . 0.0 111.416 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.44 -42.05 94.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.695 0.798 . . . . 0.0 111.161 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -62.23 -45.9 91.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.239 1.016 . . . . 0.0 113.178 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.0 mm -80.47 -51.53 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.016 1.326 . . . . 0.0 112.026 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.0 t -86.07 -32.08 21.58 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.393 1.477 . . . . 0.0 113.894 -173.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.6 -12.27 59.63 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.706 1.622 . . . . 0.0 115.273 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -137.89 163.37 31.64 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.96 1.704 . . . . 0.0 111.974 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -73.42 169.4 17.25 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.524 1.129 . . . . 0.0 112.563 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -59.0 148.4 30.92 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.78 1.232 . . . . 0.0 112.999 165.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -75.83 -59.44 2.75 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.058 1.743 . . . . 0.0 111.976 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 m -145.74 167.56 22.85 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.04 2.136 . . . . 0.0 110.556 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.85 -37.65 69.04 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.969 0.907 . . . . 0.0 112.242 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.56 -33.89 56.33 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.6 t -82.34 -44.63 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.539 0.736 . . . . 0.0 110.241 174.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.45 -55.18 31.47 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.775 1.23 . . . . 0.0 111.458 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.2 m -69.72 -34.61 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.804 1.242 . . . . 0.0 113.044 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.58 73.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.767 0.827 . . . . 0.0 111.312 172.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.32 -36.96 85.62 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.67 -0.681 . . . . 0.0 112.144 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.9 mt -56.75 -56.27 23.63 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.765 1.166 . . . . 0.0 112.211 172.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.78 -40.64 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 118.807 0.731 . . . . 0.0 111.668 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -64.33 -38.62 91.67 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.075 0.852 . . . . 0.0 113.291 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.83 -39.55 61.57 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.876 1.27 . . . . 0.0 113.292 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.946 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.5 m -58.98 -29.94 67.58 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.796 1.639 . . . . 0.0 113.264 171.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.98 -47.54 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.662 1.185 . . . . 0.0 110.569 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -71.59 -42.55 67.6 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.566 0.746 . . . . 0.0 112.602 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -70.31 -20.42 63.02 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -175.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -131.49 97.36 19.52 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.214 1.005 . . . . 0.0 112.707 -170.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.39 -15.96 42.76 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.702 2.934 . . . . 0.0 115.229 -167.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.6 mtp -57.69 -25.34 60.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.586 1.154 . . . . 0.0 112.597 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 81.5 t -57.91 -54.91 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.195 0.998 . . . . 0.0 111.042 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -56.47 -42.34 78.08 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.414 0.686 . . . . 0.0 112.271 -175.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -62.18 -36.11 80.87 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.601 1.16 . . . . 0.0 113.401 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.99 -54.75 37.25 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.132 0.878 . . . . 0.0 111.399 173.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -54.66 -39.65 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.028 -1.045 . . . . 0.0 111.7 174.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -59.36 -24.49 63.44 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.9 mtm -80.47 -8.9 59.73 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 172.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.67 -1.89 20.03 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.709 1.623 . . . . 0.0 115.477 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -67.38 163.77 20.04 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.184 1.492 . . . . 0.0 112.351 171.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.2 m -92.97 141.25 28.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.007 1.323 . . . . 0.0 112.031 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -49.66 -46.42 49.7 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.819 1.247 . . . . 0.0 112.842 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -54.96 -45.2 74.88 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.925 1.29 . . . . 0.0 112.726 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -65.5 -38.36 89.51 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.993 -0.527 . . . . 0.0 112.169 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mm -68.81 -51.79 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 118.851 0.751 . . . . 0.0 111.589 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -40.58 83.13 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.889 0.768 . . . . 0.0 112.156 177.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -51.81 67.39 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.84 1.656 . . . . 0.0 112.273 174.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 tt -68.42 -35.35 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 119.276 0.944 . . . . 0.0 112.606 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -57.68 11.33 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.055 0.942 . . . . 0.0 111.539 173.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.46 -40.73 83.46 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.641 0.655 . . . . 0.0 112.044 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -66.59 -46.26 76.54 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.781 0.719 . . . . 0.0 112.776 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -55.6 -49.27 73.23 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.394 0.997 . . . . 0.0 111.572 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.97 -44.26 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 123.772 0.829 . . . . 0.0 110.906 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -62.8 -45.28 93.39 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.493 1.117 . . . . 0.0 112.977 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.2 mm -79.68 -55.08 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.32 1.448 . . . . 0.0 111.787 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -79.46 -43.36 23.4 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.273 1.029 . . . . 0.0 113.109 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.61 -10.2 19.15 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.92 1.724 . . . . 0.0 115.032 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -145.49 167.21 23.54 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.422 1.489 . . . . 0.0 112.919 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -82.75 169.68 15.9 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.796 1.238 . . . . 0.0 112.073 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -59.47 149.96 28.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.755 2.422 . . . . 0.0 113.793 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.468 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -81.67 -53.23 6.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.485 1.514 . . . . 0.0 112.728 179.706 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -145.9 166.01 27.24 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.272 1.829 . . . . 0.0 110.774 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.24 -35.19 69.4 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.354 0.662 . . . . 0.0 112.07 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -50.19 -50.03 50.69 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.77 1.228 . . . . 0.0 112.623 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.0 t -69.88 -42.5 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.923 0.889 . . . . 0.0 110.789 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.08 -55.5 34.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.701 1.2 . . . . 0.0 111.698 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.59 -34.03 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.767 1.227 . . . . 0.0 112.903 -176.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.38 -51.7 66.54 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.592 0.757 . . . . 0.0 111.239 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -65.4 -33.15 75.28 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 118.67 -0.681 . . . . 0.0 112.179 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -58.05 -60.97 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.648 1.179 . . . . 0.0 112.393 170.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.58 -37.64 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.229 0.922 . . . . 0.0 111.849 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -59.19 -50.12 75.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.524 1.13 . . . . 0.0 112.222 173.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.85 95.99 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.299 1.04 . . . . 0.0 112.381 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.906 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 CA--C 1.54 0.577 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 m -63.86 -26.49 68.64 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -174.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.41 -43.89 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.428 1.091 . . . . 0.0 111.181 170.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -85.63 -40.44 16.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.02 0.928 . . . . 0.0 112.61 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -68.94 -23.2 64.13 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -131.91 106.83 13.9 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.177 0.991 . . . . 0.0 112.467 -176.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.59 -13.56 35.28 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.448 2.765 . . . . 0.0 115.035 -169.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.2 mtp -58.7 -25.65 63.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.363 1.065 . . . . 0.0 112.535 172.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.0 t -59.71 -56.31 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.55 1.14 . . . . 0.0 111.082 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -50.38 -45.43 55.32 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.679 1.192 . . . . 0.0 112.324 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -62.82 -35.34 79.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.942 1.297 . . . . 0.0 113.722 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.09 -50.63 67.58 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.194 -0.941 . . . . 0.0 111.478 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -56.82 -38.89 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 121.276 -0.89 . . . . 0.0 111.364 172.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -59.88 -22.38 62.26 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.7 mtm -82.05 -10.47 59.21 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 171.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.64 -1.79 15.61 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.634 1.587 . . . . 0.0 115.845 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -68.13 164.6 19.98 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.289 1.545 . . . . 0.0 112.988 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.3 m -89.41 139.17 30.79 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.665 1.186 . . . . 0.0 112.103 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -49.62 -45.37 48.16 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.3 1.04 . . . . 0.0 112.964 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -55.84 -35.25 66.21 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.398 1.879 . . . . 0.0 113.559 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -74.47 -43.83 54.32 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.927 0.785 . . . . 0.0 111.987 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.5 -47.47 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 118.288 0.495 . . . . 0.0 111.013 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.85 85.71 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.492 0.587 . . . . 0.0 112.374 174.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -46.98 79.77 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.638 1.175 . . . . 0.0 112.082 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 tt -70.35 -36.57 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 118.851 0.75 . . . . 0.0 112.149 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.5 mmt -58.26 -59.79 4.77 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.01 1.324 . . . . 0.0 111.989 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.32 -41.62 89.51 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.4 0.545 . . . . 0.0 111.915 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -69.48 -43.02 74.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.066 0.947 . . . . 0.0 111.889 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -53.47 -57.28 11.22 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.684 1.194 . . . . 0.0 110.768 170.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.52 -43.4 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.759 0.823 . . . . 0.0 111.375 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.81 -48.77 80.36 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.959 1.304 . . . . 0.0 112.999 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.6 mm -77.56 -55.36 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.379 1.071 . . . . 0.0 112.24 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 t -78.9 -25.72 43.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.802 1.641 . . . . 0.0 113.913 -171.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.36 -5.71 84.42 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.352 1.453 . . . . 0.0 114.895 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -149.63 157.88 43.65 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.224 1.41 . . . . 0.0 112.37 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -67.89 172.66 5.2 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.404 1.882 . . . . 0.0 112.372 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -63.58 143.11 58.09 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.594 1.557 . . . . 0.0 112.786 173.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -67.7 -55.69 12.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.885 1.674 . . . . 0.0 112.936 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.7 m -146.29 166.07 27.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.826 1.65 . . . . 0.0 111.302 -173.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.7 mt -53.68 -41.41 66.87 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.539 1.136 . . . . 0.0 111.974 177.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -50.22 -52.39 36.25 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.702 1.601 . . . . 0.0 112.741 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.22 -44.18 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.943 0.897 . . . . 0.0 110.579 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -55.44 34.26 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.713 1.205 . . . . 0.0 111.618 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.97 -33.64 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.189 0.996 . . . . 0.0 113.078 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.85 73.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.205 0.602 . . . . 0.0 111.367 171.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.32 -35.0 79.43 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.875 -0.583 . . . . 0.0 112.46 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -58.21 -61.05 2.85 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.323 0.965 . . . . 0.0 112.017 171.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.1 m -59.56 -34.23 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 119.233 0.924 . . . . 0.0 112.324 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -62.82 -53.76 49.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.056 1.342 . . . . 0.0 112.488 173.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.02 -29.62 69.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.231 1.012 . . . . 0.0 113.161 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 . . . . . 0 CA--C 1.549 0.915 0 C-N-CA 125.39 1.476 . . . . 0.0 114.382 178.845 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 . . . . . 0 N--CA 1.472 0.655 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -54.98 -27.66 45.65 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.382 1.873 . . . . 0.0 113.667 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.6 mt -55.7 -45.54 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.489 1.116 . . . . 0.0 110.795 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.0 -41.95 16.73 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.002 1.321 . . . . 0.0 111.703 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -67.81 -25.08 65.4 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.161 0.984 . . . . 0.0 113.574 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -132.68 104.27 13.15 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.538 1.135 . . . . 0.0 112.148 -175.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -68.53 -13.19 36.78 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.521 2.814 . . . . 0.0 114.784 -169.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.3 mtp -59.38 -24.26 63.28 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.279 1.032 . . . . 0.0 112.527 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.43 -58.52 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.269 0.628 . . . . 0.0 111.242 173.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -50.85 -45.04 59.63 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.307 1.043 . . . . 0.0 112.276 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -62.37 -35.94 80.72 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.973 1.309 . . . . 0.0 113.634 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.28 -54.23 32.21 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.24 -0.912 . . . . 0.0 111.808 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -54.21 -39.65 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.684 1.129 . . . . 0.0 111.689 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -55.66 -29.96 60.18 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.3 mtm -76.54 -8.12 56.56 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.57 -0.9 21.91 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.788 1.661 . . . . 0.0 115.163 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -67.76 165.36 17.51 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 118.934 1.367 . . . . 0.0 112.704 172.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 m -95.42 138.8 32.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.46 1.504 . . . . 0.0 111.813 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -50.91 -48.14 60.63 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.045 0.938 . . . . 0.0 113.283 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -52.84 -43.81 66.28 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.34 1.856 . . . . 0.0 112.852 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -43.8 86.66 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.964 0.906 . . . . 0.0 111.214 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.09 -50.64 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.13 0.423 . . . . 0.0 111.379 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -38.93 84.91 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.593 -0.692 . . . . 0.0 112.196 176.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -49.41 76.08 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.099 0.96 . . . . 0.0 112.203 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -68.02 -37.67 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 118.736 0.698 . . . . 0.0 112.078 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -55.81 27.6 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.573 1.149 . . . . 0.0 112.065 174.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.07 -40.57 89.96 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.684 0.675 . . . . 0.0 112.141 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -66.4 -48.56 69.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.569 0.748 . . . . 0.0 112.634 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -53.63 -51.83 61.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.438 1.095 . . . . 0.0 111.359 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.9 mt -62.72 -45.75 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.481 0.713 . . . . 0.0 111.224 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -61.36 -46.35 90.61 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.104 0.866 . . . . 0.0 112.778 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -76.45 -51.53 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.696 1.198 . . . . 0.0 112.078 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 t -85.06 -33.86 22.39 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.168 1.387 . . . . 0.0 113.917 -171.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.12 -18.49 36.3 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 126.356 1.932 . . . . 0.0 115.209 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.3 m -140.25 165.53 27.14 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.029 1.732 . . . . 0.0 112.111 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -74.66 170.48 15.72 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.559 1.144 . . . . 0.0 112.453 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -59.31 147.12 37.1 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.213 1.805 . . . . 0.0 113.274 175.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -76.8 -50.15 14.18 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.658 1.583 . . . . 0.0 113.271 -175.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.8 m -153.09 167.55 28.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.445 2.298 . . . . 0.0 110.246 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.48 -34.16 70.57 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 118.323 -0.846 . . . . 0.0 112.434 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -51.57 -51.67 53.55 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.788 1.176 . . . . 0.0 112.739 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.64 -42.69 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.443 0.697 . . . . 0.0 110.478 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -56.2 25.0 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.625 1.17 . . . . 0.0 111.424 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -70.18 -33.94 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.846 1.258 . . . . 0.0 113.09 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.37 67.96 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.453 0.701 . . . . 0.0 111.305 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.96 -35.06 79.45 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 118.832 -0.604 . . . . 0.0 112.296 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 mt -57.36 -61.67 2.31 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.513 1.052 . . . . 0.0 112.252 172.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 m -60.74 -33.63 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.367 0.985 . . . . 0.0 112.16 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -63.42 -47.84 80.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.306 1.043 . . . . 0.0 112.777 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.2 66.14 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.637 1.175 . . . . 0.0 113.469 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 . . . . . 0 N--CA 1.469 0.497 0 C-N-CA 124.364 1.066 . . . . 0.0 112.663 173.094 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.4 m -56.09 -27.93 55.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.292 1.437 . . . . 0.0 112.933 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -56.5 -49.49 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.249 1.42 . . . . 0.0 111.098 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -74.95 -42.29 57.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.856 0.862 . . . . 0.0 112.353 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -68.45 -22.08 64.6 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -174.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -131.83 101.72 15.27 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.591 1.156 . . . . 0.0 112.197 -172.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.48 -15.5 41.82 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.596 2.864 . . . . 0.0 115.188 -167.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.1 mtp -58.95 -25.31 63.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.841 0.857 . . . . 0.0 112.832 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.22 -56.64 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.43 0.692 . . . . 0.0 110.461 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -51.79 -45.32 63.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.912 0.885 . . . . 0.0 112.416 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -60.97 -35.9 77.98 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.929 1.291 . . . . 0.0 113.417 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.58 56.46 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.344 -0.848 . . . . 0.0 112.219 174.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.44 -38.14 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.237 0.926 . . . . 0.0 111.314 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -59.43 -23.85 63.02 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.0 mtm -81.79 -9.22 59.68 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 172.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.08 -2.55 14.49 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.711 1.625 . . . . 0.0 115.739 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -68.11 162.12 25.4 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.292 1.546 . . . . 0.0 112.9 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.4 m -87.85 141.52 28.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.906 1.282 . . . . 0.0 111.986 175.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -51.03 -45.01 61.13 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.146 0.978 . . . . 0.0 112.993 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -42.85 69.63 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.165 1.786 . . . . 0.0 113.038 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.56 -41.49 92.89 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.461 0.573 . . . . 0.0 111.553 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mm -70.1 -49.22 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 118.529 0.604 . . . . 0.0 111.746 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -43.42 85.0 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.89 0.768 . . . . 0.0 111.602 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -58.99 -53.89 53.26 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.354 1.462 . . . . 0.0 111.829 175.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 tt -67.24 -34.93 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 118.784 0.72 . . . . 0.0 112.657 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.4 mmt -61.11 -58.08 9.87 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.95 0.9 . . . . 0.0 111.836 172.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.04 -38.53 86.48 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.866 0.757 . . . . 0.0 112.38 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.19 -50.74 69.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.284 1.033 . . . . 0.0 111.769 174.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -54.38 -50.45 67.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.796 1.238 . . . . 0.0 111.849 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.91 -49.45 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.653 0.781 . . . . 0.0 110.895 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -64.0 -43.13 96.63 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.568 1.147 . . . . 0.0 113.421 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.0 mm -77.4 -53.2 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.324 1.45 . . . . 0.0 111.946 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -89.59 -35.02 16.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.183 1.393 . . . . 0.0 114.086 -169.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.49 -17.59 25.83 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 126.021 1.772 . . . . 0.0 115.135 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.1 p -144.14 156.51 44.36 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.897 1.679 . . . . 0.0 111.69 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -82.12 170.39 15.55 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.73 0.812 . . . . 0.0 113.151 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -63.86 143.64 57.69 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.524 1.129 . . . . 0.0 112.279 175.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -113.17 -15.65 12.72 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.0 p -136.82 152.53 50.38 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.949 1.3 . . . . 0.0 110.911 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.36 -31.43 72.21 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.743 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -53.06 -55.88 20.38 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.257 1.023 . . . . 0.0 112.624 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.5 -37.81 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.981 -0.449 . . . . 0.0 112.088 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -56.33 22.98 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.876 0.87 . . . . 0.0 111.097 178.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.0 m -70.27 -33.58 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.288 1.035 . . . . 0.0 112.753 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.84 75.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.507 0.723 . . . . 0.0 111.666 171.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -65.4 -37.76 87.94 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.692 -0.63 . . . . 0.0 112.091 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.0 mt -56.91 -56.97 14.8 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.243 1.017 . . . . 0.0 112.324 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.5 -41.42 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.909 0.777 . . . . 0.0 111.349 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -61.41 -45.17 95.46 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.091 0.86 . . . . 0.0 112.703 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.91 -33.18 71.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 176.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 CA--C 1.546 0.821 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.1 m -66.32 -26.59 67.37 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.825 -1.172 . . . . 0.0 112.71 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.3 mt -58.85 -45.03 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.885 1.274 . . . . 0.0 110.986 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.85 -32.37 59.73 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.983 0.913 . . . . 0.0 112.865 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -84.41 -18.46 35.95 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -174.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -130.57 101.67 17.12 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 124.33 1.052 . . . . 0.0 112.253 -167.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.52 -17.01 43.56 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.247 2.631 . . . . 0.0 114.635 -169.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.2 mtp -59.56 -23.74 63.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.447 1.099 . . . . 0.0 112.952 171.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.04 -61.58 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.844 0.858 . . . . 0.0 110.336 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -53.86 -40.95 66.96 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.489 1.116 . . . . 0.0 112.467 -176.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -61.18 -33.3 73.22 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.845 1.258 . . . . 0.0 113.605 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.18 -52.34 35.53 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.131 0.878 . . . . 0.0 111.832 174.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -53.91 -39.61 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 119.225 0.92 . . . . 0.0 111.468 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -58.87 -21.29 56.82 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.9 mtm -83.45 -9.78 58.79 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 171.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.53 -2.72 13.81 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.776 1.655 . . . . 0.0 115.565 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -68.28 168.22 12.85 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.142 1.471 . . . . 0.0 113.006 173.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 m -99.86 134.03 43.36 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.693 1.597 . . . . 0.0 111.828 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -46.39 -48.59 18.59 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.097 1.359 . . . . 0.0 113.228 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -29.62 63.02 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.126 1.771 . . . . 0.0 114.598 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -85.0 -36.62 21.18 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.049 0.84 . . . . 0.0 111.502 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.7 -50.35 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 118.526 0.603 . . . . 0.0 110.683 175.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -35.42 78.36 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.516 -0.74 . . . . 0.0 112.464 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -50.14 69.1 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.188 0.995 . . . . 0.0 111.656 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -67.55 -35.84 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.452 0.569 . . . . 0.0 112.024 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.7 mmt -59.67 -57.89 10.98 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.672 1.189 . . . . 0.0 112.321 172.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.62 -40.49 92.11 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.851 0.75 . . . . 0.0 111.964 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.07 -45.57 80.83 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.689 0.796 . . . . 0.0 112.072 177.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -53.52 -57.42 10.77 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.847 1.259 . . . . 0.0 110.948 172.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.38 -44.19 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.603 0.761 . . . . 0.0 111.153 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.72 -46.73 89.29 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.835 1.254 . . . . 0.0 113.226 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -81.36 -52.53 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.64 1.176 . . . . 0.0 112.184 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.1 t -81.55 -27.45 34.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.933 1.693 . . . . 0.0 113.897 -173.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.52 -6.97 77.89 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.658 1.599 . . . . 0.0 115.207 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.5 m -147.65 162.02 39.98 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.001 1.72 . . . . 0.0 112.242 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -64.94 178.23 0.85 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 126.465 1.906 . . . . 0.0 112.997 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.31 150.78 45.99 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.639 1.175 . . . . 0.0 112.554 170.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -75.48 -56.31 4.83 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.841 1.656 . . . . 0.0 112.408 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.3 m -144.97 166.46 25.24 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.846 2.058 . . . . 0.0 110.523 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.12 -34.55 70.34 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.264 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -52.53 -50.57 62.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.173 0.989 . . . . 0.0 112.67 177.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.9 -45.15 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.966 0.907 . . . . 0.0 110.46 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.0 -56.63 18.37 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.082 1.353 . . . . 0.0 111.468 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.72 -34.52 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.299 1.04 . . . . 0.0 112.9 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.35 -49.22 77.81 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.66 0.664 . . . . 0.0 111.362 171.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.55 -34.43 78.24 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.464 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 mt -59.67 -58.08 10.12 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.823 1.192 . . . . 0.0 112.351 171.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.3 m -62.89 -26.79 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.739 0.7 . . . . 0.0 112.704 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -68.99 -58.1 4.57 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.438 1.095 . . . . 0.0 111.482 169.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.35 -35.18 71.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.179 1.392 . . . . 0.0 113.767 -176.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 175.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 m -62.09 -26.16 68.12 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.221 1.408 . . . . 0.0 113.342 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.4 mt -59.76 -43.44 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.622 1.169 . . . . 0.0 111.001 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -43.77 59.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.536 0.734 . . . . 0.0 112.362 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -71.36 -19.03 62.34 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.46 92.07 32.84 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.838 1.255 . . . . 0.0 111.023 -167.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.3 -16.75 48.94 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.101 2.534 . . . . 0.0 114.621 -168.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.8 mtp -54.83 -26.89 38.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.084 1.353 . . . . 0.0 113.274 169.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.83 -54.45 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 123.826 0.851 . . . . 0.0 111.241 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -56.2 -41.67 75.93 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.544 0.738 . . . . 0.0 112.33 -176.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -63.21 -34.94 78.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.938 1.295 . . . . 0.0 113.088 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -51.17 62.37 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.289 -0.882 . . . . 0.0 111.917 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -55.43 -41.93 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.231 0.923 . . . . 0.0 111.369 173.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -56.24 -29.47 61.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.625 1.17 . . . . 0.0 114.011 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.5 mtm -76.42 -12.67 60.09 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.17 -5.32 9.52 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.454 1.502 . . . . 0.0 115.837 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -66.52 156.22 35.48 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.254 1.527 . . . . 0.0 111.978 171.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.0 m -82.17 149.22 28.05 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.118 -0.989 . . . . 0.0 111.871 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.86 -49.18 59.64 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.699 1.199 . . . . 0.0 112.973 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.61 -44.75 37.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.642 1.977 . . . . 0.0 112.789 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.89 -42.91 97.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.758 0.823 . . . . 0.0 110.781 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mm -70.35 -53.32 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 123.226 0.61 . . . . 0.0 110.901 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -38.22 72.36 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.93 176.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -62.21 -52.37 64.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.735 1.214 . . . . 0.0 111.977 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 tt -66.47 -32.65 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 118.921 0.782 . . . . 0.0 112.132 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mtt -66.61 -51.49 55.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.965 0.802 . . . . 0.0 113.133 174.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.87 -38.79 83.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.357 0.98 . . . . 0.0 111.775 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.78 -49.74 67.25 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.425 -0.797 . . . . 0.0 113.116 171.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -55.02 -48.19 73.7 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.286 0.948 . . . . 0.0 111.548 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.91 -48.55 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.965 0.906 . . . . 0.0 111.011 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -64.7 -50.53 66.58 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.057 0.943 . . . . 0.0 113.402 -177.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.3 mm -74.94 -53.83 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.931 1.692 . . . . 0.0 111.679 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 t -88.14 -20.43 25.65 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.5 1.12 . . . . 0.0 113.916 -171.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.61 -12.67 68.46 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 125.884 1.707 . . . . 0.0 115.348 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.6 p -149.88 154.96 39.2 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.867 1.667 . . . . 0.0 111.837 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -78.58 168.05 20.34 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.338 1.055 . . . . 0.0 112.677 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -61.06 155.2 20.86 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.394 1.477 . . . . 0.0 112.988 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -126.95 -4.97 6.28 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.482 1.513 . . . . 0.0 114.778 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.6 t -143.72 149.09 36.65 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.748 1.619 . . . . 0.0 110.151 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.6 -30.9 70.98 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 118.944 -0.55 . . . . 0.0 111.564 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -55.62 -55.48 31.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.525 1.13 . . . . 0.0 112.396 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.63 -37.63 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.273 0.629 . . . . 0.0 111.801 175.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -56.29 24.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.306 1.042 . . . . 0.0 111.447 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.78 -33.02 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.308 1.043 . . . . 0.0 112.815 -175.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.63 70.93 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.838 0.855 . . . . 0.0 111.517 171.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.14 -36.21 83.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 118.713 -0.66 . . . . 0.0 112.299 176.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.0 mt -56.47 -60.59 3.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.288 1.035 . . . . 0.0 111.764 173.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -58.51 -39.2 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 119.34 0.973 . . . . 0.0 111.912 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.91 -49.12 78.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.222 1.009 . . . . 0.0 112.743 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.3 -27.77 66.59 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.564 1.146 . . . . 0.0 113.388 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 124.701 1.2 . . . . 0.0 113.42 173.218 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.8 m -63.72 -24.93 67.97 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.023 -1.048 . . . . 0.0 113.026 170.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.85 -49.6 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.244 1.017 . . . . 0.0 110.236 170.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -70.06 -44.36 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.064 0.946 . . . . 0.0 112.635 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -71.92 -17.42 62.1 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -129.17 96.4 28.56 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.45 1.1 . . . . 0.0 111.228 -171.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.21 -16.42 48.58 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.392 2.728 . . . . 0.0 114.712 -167.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtp -60.01 -20.12 56.1 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.988 1.315 . . . . 0.0 113.471 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.88 -57.74 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 123.87 0.868 . . . . 0.0 110.858 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -55.23 -39.79 70.1 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.583 0.628 . . . . 0.0 112.202 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -60.76 -40.05 91.05 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.368 1.467 . . . . 0.0 113.209 174.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.78 63.31 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.48 -0.763 . . . . 0.0 112.191 175.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -55.2 -41.04 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.419 1.008 . . . . 0.0 111.32 174.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 -59.87 -24.03 63.91 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.8 mtm -78.63 -11.74 59.98 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 171.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.01 -4.27 9.74 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.71 1.624 . . . . 0.0 115.823 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -69.68 166.34 19.36 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.094 1.447 . . . . 0.0 113.201 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 m -91.53 142.76 27.3 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.455 1.102 . . . . 0.0 112.173 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -51.05 -46.32 61.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.034 0.934 . . . . 0.0 112.739 172.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -64.27 -12.83 45.14 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -96.41 -35.42 11.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.07 0.85 . . . . 0.0 112.247 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mm -68.36 -50.01 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 119.464 1.029 . . . . 0.0 111.169 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -44.22 75.14 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.794 -0.566 . . . . 0.0 111.369 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -64.46 -54.16 36.88 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.366 1.466 . . . . 0.0 111.444 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 tt -62.44 -35.19 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 118.543 0.611 . . . . 0.0 111.99 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.3 mtt -66.63 -53.99 28.12 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.073 0.852 . . . . 0.0 113.169 173.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.49 -35.37 75.76 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.925 1.239 . . . . 0.0 112.323 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.67 -49.76 67.41 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.276 1.031 . . . . 0.0 111.768 172.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -54.83 -49.63 70.56 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.347 1.459 . . . . 0.0 112.188 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.6 mt -59.66 -45.25 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.74 0.816 . . . . 0.0 110.617 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -63.67 -50.83 67.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.267 1.027 . . . . 0.0 112.787 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.9 mm -72.88 -51.53 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.703 1.601 . . . . 0.0 112.307 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 t -92.23 -40.45 10.96 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.171 1.389 . . . . 0.0 113.556 -170.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.8 -15.76 13.97 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 125.763 1.649 . . . . 0.0 115.427 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.0 m -139.32 147.27 41.36 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.897 1.679 . . . . 0.0 111.009 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -74.2 166.68 23.02 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.235 0.541 . . . . 0.0 111.96 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -65.06 141.52 58.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.625 1.17 . . . . 0.0 112.266 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -121.37 -5.13 9.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.905 1.682 . . . . 0.0 115.238 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 m -136.14 145.52 45.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.752 1.221 . . . . 0.0 110.97 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 mp -55.87 -46.66 78.23 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.468 1.107 . . . . 0.0 111.172 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.55 -55.35 19.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.286 1.435 . . . . 0.0 112.996 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.34 -38.32 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 122.975 0.51 . . . . 0.0 112.146 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -55.67 29.08 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.774 0.829 . . . . 0.0 110.658 177.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.69 -34.99 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.023 0.929 . . . . 0.0 112.875 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.21 82.83 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.571 0.748 . . . . 0.0 111.506 171.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -64.72 -38.57 91.43 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.998 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.8 mt -57.51 -57.03 14.49 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 120.045 1.293 . . . . 0.0 112.411 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 m -63.87 -20.33 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -82.48 -49.47 9.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.176 0.99 . . . . 0.0 112.336 173.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.74 71.81 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.232 1.413 . . . . 0.0 113.698 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 176.247 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 . . . . . 0 CA--C 1.545 0.775 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.0 m -55.07 -29.99 58.7 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.55 1.54 . . . . 0.0 113.192 168.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.09 -42.58 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.481 1.112 . . . . 0.0 110.911 173.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -76.56 -41.39 46.67 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.607 0.763 . . . . 0.0 112.46 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -69.64 -20.32 63.6 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.85 95.47 31.82 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.096 1.358 . . . . 0.0 111.501 -168.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.37 -18.77 49.97 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.32 2.68 . . . . 0.0 114.28 -170.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.5 mtp -59.02 -23.22 61.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.391 1.476 . . . . 0.0 112.961 171.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.52 -58.49 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.15 0.98 . . . . 0.0 110.823 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -46.85 -48.33 21.02 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.248 1.419 . . . . 0.0 112.05 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -60.6 -40.59 92.34 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.868 1.667 . . . . 0.0 113.427 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.9 77.66 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.068 -1.02 . . . . 0.0 112.303 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -55.44 -41.77 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 119.46 1.027 . . . . 0.0 111.138 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -56.33 -33.97 66.12 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.3 mtm -67.09 -22.04 65.84 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.73 2.7 5.22 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.304 1.43 . . . . 0.0 116.327 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.48 ' CB ' HD11 ' A' ' 44' ' ' ILE . 69.6 m-85 -72.78 167.89 19.94 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.018 1.409 . . . . 0.0 113.217 173.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.0 m -91.83 139.31 30.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.642 1.577 . . . . 0.0 112.202 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -49.66 -48.99 49.02 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.647 1.179 . . . . 0.0 113.443 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -50.79 -50.55 55.9 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.62 1.568 . . . . 0.0 111.936 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -62.2 -43.28 99.18 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.327 0.651 . . . . 0.0 112.38 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.48 HD11 ' CB ' ' A' ' 39' ' ' PHE . 6.3 mm -64.56 -51.88 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.471 0.578 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -34.48 77.73 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.836 -0.54 . . . . 0.0 111.813 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -65.54 -50.93 63.38 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.109 1.363 . . . . 0.0 111.012 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 tt -64.79 -36.93 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 118.951 -0.547 . . . . 0.0 112.07 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmt -58.85 -56.84 17.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.116 0.967 . . . . 0.0 112.409 172.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.47 -40.39 94.35 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.786 0.721 . . . . 0.0 112.442 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -45.76 83.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.243 0.929 . . . . 0.0 113.039 172.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -55.19 -52.31 63.74 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.909 1.231 . . . . 0.0 111.331 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.0 mt -62.55 -44.83 99.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 123.653 0.781 . . . . 0.0 110.856 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -62.61 -43.99 97.43 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.2 mm -81.26 -51.92 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.136 1.374 . . . . 0.0 111.654 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -86.16 -25.73 25.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.755 1.222 . . . . 0.0 114.136 -172.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.85 -5.45 69.23 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.392 1.472 . . . . 0.0 115.682 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -145.71 166.57 25.46 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.329 1.452 . . . . 0.0 112.682 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -77.37 166.96 22.46 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.444 1.098 . . . . 0.0 113.044 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -56.24 141.08 42.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.768 1.627 . . . . 0.0 113.365 172.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -69.14 -55.43 10.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.754 1.221 . . . . 0.0 112.532 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.2 m -148.41 169.96 19.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.869 2.068 . . . . 0.0 110.646 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.36 -34.87 67.06 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.393 0.677 . . . . 0.0 112.209 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -49.64 -50.32 43.64 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.802 1.241 . . . . 0.0 112.772 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.6 t -71.13 -40.94 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.12 0.968 . . . . 0.0 110.801 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -56.57 20.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.766 1.226 . . . . 0.0 111.309 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.9 -32.96 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.755 1.222 . . . . 0.0 112.86 -177.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.3 -53.6 50.26 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.636 0.774 . . . . 0.0 111.645 171.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -60.93 -36.97 80.73 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.756 -0.59 . . . . 0.0 111.901 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -56.86 -61.69 2.26 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.718 1.207 . . . . 0.0 112.56 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.75 -35.01 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.029 0.831 . . . . 0.0 111.965 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -68.42 -43.2 77.71 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.003 0.921 . . . . 0.0 112.802 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.36 83.53 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.081 0.952 . . . . 0.0 112.298 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 . . . . . 0 CA--C 1.55 0.962 0 C-N-CA 126.005 1.722 . . . . 0.0 114.646 176.552 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.454 0 CA-C-O 119.421 -0.655 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -78.12 161.56 27.3 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 118.585 1.192 . . . . 0.0 113.104 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.01 -25.86 11.42 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.884 1.274 . . . . 0.0 114.0 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.2 tpt -126.71 156.21 41.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.36 1.464 . . . . 0.0 111.562 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.89 77.82 4.39 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.149 1.38 . . . . 0.0 113.228 -174.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -72.93 -26.21 61.32 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tp -67.08 -25.88 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.429 1.092 . . . . 0.0 113.401 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.92 114.12 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.717 1.151 . . . . 0.0 112.403 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 t -118.82 -40.85 2.82 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.171 1.388 . . . . 0.0 112.729 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -121.48 -29.7 4.38 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.659 1.184 . . . . 0.0 113.944 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 50.07 30.02 3.89 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 126.271 1.828 . . . . 0.0 113.889 -176.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -69.57 -52.41 26.39 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.731 -1.231 . . . . 0.0 111.751 -174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -79.74 157.93 27.02 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.235 1.414 . . . . 0.0 111.57 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.0 p -124.5 157.56 64.79 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 125.955 1.702 . . . . 0.0 112.517 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -72.62 -21.35 22.19 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 123.218 2.612 . . . . 0.0 113.84 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.4 p -147.4 158.0 43.8 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.969 1.708 . . . . 0.0 111.344 171.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.0 tp -155.69 120.91 4.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.412 1.485 . . . . 0.0 110.005 175.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.7 m -139.65 143.32 37.12 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.489 1.116 . . . . 0.0 111.234 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -70.14 -15.36 62.95 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.3 ttm105 -89.78 133.63 34.61 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.467 1.907 . . . . 0.0 111.078 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.0 pt -72.79 -175.82 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 125.086 1.354 . . . . 0.0 112.015 168.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 8.5 t70 -120.16 134.27 55.3 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.685 1.194 . . . . 0.0 111.853 174.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -62.45 -16.42 55.13 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.403 HG21 ' HB3' ' A' ' 48' ' ' MET . 9.5 m -69.84 -25.26 63.66 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.825 -1.172 . . . . 0.0 112.726 174.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.13 -49.25 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.118 0.967 . . . . 0.0 110.5 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -72.81 -44.35 61.59 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -70.74 -19.37 62.74 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -174.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -131.76 96.21 21.17 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 124.535 1.134 . . . . 0.0 111.926 -171.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.32 -13.96 39.03 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 123.681 2.921 . . . . 0.0 115.192 -166.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.9 mtp -57.64 -24.74 58.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.525 1.13 . . . . 0.0 112.939 171.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.14 -56.36 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 123.834 0.854 . . . . 0.0 111.248 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.24 -37.4 74.84 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -61.59 -38.67 88.43 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.204 1.002 . . . . 0.0 112.731 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.86 -52.89 61.36 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.61 -0.681 . . . . 0.0 112.059 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.57 -41.34 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.503 1.047 . . . . 0.0 111.596 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.72 -26.69 57.61 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.819 1.247 . . . . 0.0 114.227 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.8 mtm -78.33 -10.29 59.61 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.34 -2.39 14.14 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.872 1.701 . . . . 0.0 115.436 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -67.95 163.09 22.91 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.219 1.51 . . . . 0.0 112.755 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 m -88.55 143.18 27.12 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.219 1.408 . . . . 0.0 112.057 176.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -53.47 -46.14 69.84 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.962 0.905 . . . . 0.0 113.098 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -45.67 70.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.638 1.575 . . . . 0.0 112.327 176.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -43.19 99.31 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.48 0.712 . . . . 0.0 111.629 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.75 -49.03 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 118.022 0.374 . . . . 0.0 111.718 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -58.29 -38.76 77.67 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.102 0.865 . . . . 0.0 111.746 175.074 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -50.75 66.26 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.275 1.03 . . . . 0.0 111.71 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 tt -66.56 -37.57 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 118.331 0.514 . . . . 0.0 112.018 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.403 ' HB3' HG21 ' A' ' 24' ' ' THR . 14.8 mmt -60.58 -59.03 6.05 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.948 0.899 . . . . 0.0 111.919 173.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.41 -40.34 82.18 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.138 0.881 . . . . 0.0 112.32 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -66.85 -46.76 74.03 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.937 0.895 . . . . 0.0 112.129 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -57.88 -48.69 79.1 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.005 0.922 . . . . 0.0 112.151 175.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.4 mt -63.24 -44.8 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.835 0.854 . . . . 0.0 110.784 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -59.79 -43.07 94.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.416 1.086 . . . . 0.0 113.058 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 mm -84.11 -52.89 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 124.744 1.217 . . . . 0.0 112.259 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.2 t -85.15 -33.44 22.33 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.916 1.286 . . . . 0.0 114.018 -173.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.27 -12.12 28.65 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.864 1.697 . . . . 0.0 115.616 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -150.6 169.46 21.5 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.191 1.495 . . . . 0.0 113.52 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.21 170.38 8.74 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.428 1.491 . . . . 0.0 112.913 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -62.41 149.21 43.12 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.85 1.26 . . . . 0.0 113.146 171.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -72.4 -53.38 12.42 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.659 1.583 . . . . 0.0 113.031 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.44 164.84 32.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.058 1.743 . . . . 0.0 110.979 -175.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.72 -35.29 72.43 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 118.726 -0.654 . . . . 0.0 112.094 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -49.2 -52.2 28.26 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.823 1.249 . . . . 0.0 112.664 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.57 -42.3 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.861 0.864 . . . . 0.0 110.988 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -55.62 32.39 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.036 0.934 . . . . 0.0 111.451 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.3 m -69.67 -34.14 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.596 1.159 . . . . 0.0 113.041 -176.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.91 -49.63 75.42 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.573 0.749 . . . . 0.0 111.409 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.14 -35.31 80.13 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.2 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.73 -57.66 11.77 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.665 1.121 . . . . 0.0 112.445 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.7 m -60.65 -40.16 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 118.725 0.693 . . . . 0.0 111.616 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.41 -51.99 67.53 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.896 0.771 . . . . 0.0 112.255 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.7 91.58 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.937 0.895 . . . . 0.0 113.136 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -71.72 -31.82 67.13 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -69.49 -59.91 2.67 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.726 1.21 . . . . 0.0 112.511 173.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -140.35 92.05 2.49 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.552 1.541 . . . . 0.0 112.717 -170.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.7 t -149.05 164.42 34.7 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.633 1.573 . . . . 0.0 111.07 170.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.1 mmt -133.53 144.18 49.21 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.019 2.128 . . . . 0.0 110.042 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -146.06 164.73 31.2 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.886 1.274 . . . . 0.0 112.223 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -136.09 93.58 2.93 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.658 1.583 . . . . 0.0 110.73 -173.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -123.79 52.37 1.45 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.432 1.493 . . . . 0.0 111.73 -174.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.2 t -65.94 -60.04 3.24 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.429 1.092 . . . . 0.0 112.134 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.7 m -88.54 84.81 6.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.179 1.391 . . . . 0.0 111.742 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -101.79 140.27 36.3 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.962 1.305 . . . . 0.0 111.652 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.9 p -91.18 90.9 7.99 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.585 1.554 . . . . 0.0 111.653 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.4 t -75.46 71.28 2.39 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.3 1.04 . . . . 0.0 111.411 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -137.59 147.03 44.72 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.736 2.015 . . . . 0.0 111.174 -175.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -151.67 164.53 36.74 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.417 1.487 . . . . 0.0 112.435 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -106.53 -3.58 20.67 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.821 1.649 . . . . 0.0 113.32 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.57 145.49 52.52 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.646 1.178 . . . . 0.0 111.941 175.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.6 tt -78.97 149.79 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.951 1.3 . . . . 0.0 111.645 173.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 t -86.04 71.48 10.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.117 0.96 . . . . 0.0 111.308 170.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.5 p -68.5 -21.85 64.57 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 120.75 -1.219 . . . . 0.0 113.313 172.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.36 -33.43 75.94 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.974 0.806 . . . . 0.0 112.304 173.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -67.18 -32.33 73.33 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.233 -0.917 . . . . 0.0 112.545 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -62.97 -22.42 66.8 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.43 -21.59 62.44 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.124 0.969 . . . . 0.0 112.856 175.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -56.99 -23.72 48.19 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.324 1.049 . . . . 0.0 113.768 175.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -66.65 -26.14 66.91 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.595 1.558 . . . . 0.0 112.906 175.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.85 -40.75 16.75 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.56 1.544 . . . . 0.0 111.504 177.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.32 99.78 0.11 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.899 1.279 . . . . 0.0 112.678 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -72.88 -30.95 64.35 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.264 1.026 . . . . 0.0 112.932 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -82.23 95.24 7.49 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.318 1.447 . . . . 0.0 111.183 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -149.51 145.94 27.12 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.303 1.441 . . . . 0.0 111.116 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.254 1.296 0 C-N-CA 125.23 1.412 . . . . 0.0 111.86 174.307 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.984 -0.446 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.9 p -68.58 171.36 7.69 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.556 1.142 . . . . 0.0 112.602 169.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.66 171.62 14.09 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.47 1.508 . . . . 0.0 111.822 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -123.43 165.57 16.83 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.745 1.618 . . . . 0.0 111.723 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.04 152.72 47.61 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.09 1.356 . . . . 0.0 111.961 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -105.64 67.26 0.76 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.111 1.364 . . . . 0.0 111.426 -172.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 pt -68.2 -20.46 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.37 45.06 2.78 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.908 1.718 . . . . 0.0 114.273 -175.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.7 p -95.98 -27.49 15.11 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.092 1.357 . . . . 0.0 114.077 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -80.1 173.06 12.97 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.137 1.375 . . . . 0.0 111.97 173.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.0 t80 60.48 16.2 6.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.15 1.78 . . . . 0.0 114.673 178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -58.44 -47.68 83.2 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.997 1.719 . . . . 0.0 113.184 -172.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -111.84 133.58 53.96 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.782 1.633 . . . . 0.0 110.439 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 p -66.28 158.99 75.12 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 125.512 1.525 . . . . 0.0 112.645 176.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.86 152.05 73.84 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.383 2.055 . . . . 0.0 111.884 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 t -70.22 165.49 22.05 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.538 1.135 . . . . 0.0 112.424 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.06 101.71 3.34 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.682 1.593 . . . . 0.0 111.43 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.97 126.58 27.83 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.968 1.307 . . . . 0.0 111.29 175.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -68.57 -35.53 77.52 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.537 0.735 . . . . 0.0 112.686 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -61.32 112.61 2.23 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.914 2.086 . . . . 0.0 110.934 173.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.0 tp -62.55 137.92 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.478 0.711 . . . . 0.0 110.383 169.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -86.66 125.62 33.98 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.418 -0.801 . . . . 0.0 111.452 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -57.37 -22.36 42.11 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 175.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 m -61.71 -30.88 71.05 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.883 1.273 . . . . 0.0 112.456 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.21 -46.3 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.08 1.352 . . . . 0.0 110.331 174.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -71.7 -45.32 62.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.669 0.788 . . . . 0.0 112.298 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -72.55 -18.51 61.62 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -172.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -132.14 96.8 19.13 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 124.288 1.035 . . . . 0.0 112.021 -172.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.79 -15.29 43.86 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.496 2.797 . . . . 0.0 115.199 -166.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 42.7 mtp -57.5 -23.43 50.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.792 1.237 . . . . 0.0 113.1 172.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -56.51 -54.59 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.34 1.056 . . . . 0.0 111.127 176.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -57.23 -40.57 77.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.406 0.683 . . . . 0.0 112.05 -176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.4 -36.9 85.25 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.149 1.38 . . . . 0.0 113.048 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.43 -52.78 60.04 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.265 -0.897 . . . . 0.0 111.908 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -56.5 -39.68 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.264 0.938 . . . . 0.0 111.59 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -55.81 -32.92 63.96 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.213 1.005 . . . . 0.0 113.66 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.3 mtm -74.19 -10.29 59.46 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.3 -2.99 14.09 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.753 1.644 . . . . 0.0 115.568 176.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -68.86 161.98 27.46 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.028 1.414 . . . . 0.0 112.946 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.1 m -86.97 138.86 31.16 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.425 1.49 . . . . 0.0 112.147 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.61 -47.98 58.04 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.162 0.985 . . . . 0.0 112.956 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -30.64 68.92 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.306 1.043 . . . . 0.0 113.613 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -79.19 -33.64 43.72 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.725 -0.655 . . . . 0.0 112.475 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -69.35 -50.04 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-N 119.343 0.974 . . . . 0.0 111.081 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -41.94 79.48 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 118.713 -0.66 . . . . 0.0 111.588 175.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -60.67 -54.61 43.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.244 1.018 . . . . 0.0 111.935 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.7 tt -64.84 -37.29 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 118.532 0.606 . . . . 0.0 112.24 -177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.9 mtt -67.34 -50.69 58.93 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.244 0.929 . . . . 0.0 112.781 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -59.72 -40.22 87.28 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.756 1.162 . . . . 0.0 111.767 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -66.77 -45.73 77.55 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.557 1.143 . . . . 0.0 112.129 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -54.32 -52.93 59.96 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.168 1.387 . . . . 0.0 111.784 173.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -60.67 -46.68 95.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.879 0.872 . . . . 0.0 110.612 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -60.17 -40.64 90.65 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.042 0.937 . . . . 0.0 112.978 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.4 mm -82.43 -55.74 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.974 1.31 . . . . 0.0 112.047 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 t -77.92 -38.27 45.91 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.749 1.22 . . . . 0.0 113.776 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.26 -12.17 51.67 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 126.081 1.8 . . . . 0.0 114.73 -175.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.5 m -137.9 157.41 46.46 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.178 1.791 . . . . 0.0 111.741 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -85.47 171.67 11.6 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.205 1.002 . . . . 0.0 112.244 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -63.57 156.55 26.22 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.235 1.414 . . . . 0.0 112.964 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -127.74 -17.48 4.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.783 1.633 . . . . 0.0 115.349 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.0 m -140.76 150.17 43.05 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.829 1.651 . . . . 0.0 110.057 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.09 -33.49 75.56 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.737 -0.649 . . . . 0.0 111.993 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -50.49 -55.63 15.17 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.679 1.191 . . . . 0.0 112.77 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.8 m -65.76 -36.42 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -56.26 19.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.435 0.694 . . . . 0.0 110.883 178.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.5 m -70.35 -33.31 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.648 1.179 . . . . 0.0 113.131 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.67 -51.23 68.03 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.494 0.717 . . . . 0.0 111.457 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -33.77 76.66 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.499 -0.762 . . . . 0.0 112.005 177.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.9 mt -56.72 -61.01 2.72 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.835 1.198 . . . . 0.0 112.1 170.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -60.42 -30.66 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 119.454 1.025 . . . . 0.0 112.753 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -72.69 -41.93 64.77 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.737 0.815 . . . . 0.0 112.747 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.37 -27.82 65.65 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.35 1.06 . . . . 0.0 113.156 175.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -72.34 -10.6 60.0 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.334 1.454 . . . . 0.0 114.009 173.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -67.07 168.93 9.23 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.523 1.056 . . . . 0.0 112.285 171.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.5 t0 57.18 21.14 6.24 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.383 1.873 . . . . 0.0 114.266 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.0 t -98.25 -52.57 3.62 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.164 1.785 . . . . 0.0 112.197 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 99.0 mmm -66.21 147.48 53.26 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.277 1.031 . . . . 0.0 112.366 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -146.14 125.2 12.84 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.535 1.534 . . . . 0.0 110.637 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.34 113.26 5.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.511 1.124 . . . . 0.0 111.205 172.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.38 -15.39 62.85 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -118.25 171.23 8.26 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.726 2.01 . . . . 0.0 111.701 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.4 m -111.6 28.93 8.29 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.045 1.738 . . . . 0.0 112.683 -172.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -58.22 -22.01 50.23 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.8 p -65.4 -59.97 3.45 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.531 1.932 . . . . 0.0 113.119 175.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.7 m 47.63 35.44 4.44 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.694 1.998 . . . . 0.0 114.571 -173.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -139.86 169.89 16.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.542 1.537 . . . . 0.0 112.915 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -126.97 -56.04 1.36 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.716 1.606 . . . . 0.0 111.791 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -133.72 164.49 27.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.934 2.094 . . . . 0.0 111.55 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.95 143.47 35.0 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.035 1.734 . . . . 0.0 111.673 176.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 13.3 tt -90.06 -7.66 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.921 1.289 . . . . 0.0 113.11 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.9 m -119.56 103.65 9.61 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.461 1.904 . . . . 0.0 110.337 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.4 m -55.07 -31.86 61.48 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.717 1.207 . . . . 0.0 112.686 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.4 mp0 -57.74 -27.46 63.02 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.046 1.739 . . . . 0.0 113.144 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.46 -37.79 85.92 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.992 0.917 . . . . 0.0 111.32 174.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -65.2 -36.01 82.85 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.281 -0.887 . . . . 0.0 112.268 176.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.43 -48.41 77.89 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.614 0.766 . . . . 0.0 111.408 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -23.0 64.58 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 175.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -70.47 -29.88 66.55 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.121 1.368 . . . . 0.0 112.79 174.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 45.2 tp -60.81 -51.34 69.72 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.192 0.997 . . . . 0.0 112.387 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -71.71 157.14 38.47 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.629 0.772 . . . . 0.0 112.916 176.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -89.39 101.03 13.71 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.642 1.177 . . . . 0.0 110.749 173.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.57 107.79 1.23 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.764 1.225 . . . . 0.0 110.793 175.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -123.71 110.45 14.97 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.259 1.824 . . . . 0.0 111.32 -174.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 C--O 1.254 1.296 0 C-N-CA 126.391 1.877 . . . . 0.0 111.915 175.458 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.178 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -78.0 168.24 20.21 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.957 0.903 . . . . 0.0 112.321 174.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.53 160.05 43.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.646 1.578 . . . . 0.0 112.258 174.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 85.8 mmm -78.51 105.95 10.13 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.113 1.365 . . . . 0.0 110.455 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.64 134.84 51.87 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.794 0.838 . . . . 0.0 111.969 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -138.68 88.89 2.33 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.676 1.59 . . . . 0.0 111.306 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 pt -86.45 -9.13 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.788 1.235 . . . . 0.0 113.946 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.63 117.94 0.62 Allowed Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.205 1.383 . . . . 0.0 112.149 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.3 t -101.19 -74.27 0.62 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.952 1.301 . . . . 0.0 111.317 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -152.99 160.29 43.0 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.408 1.483 . . . . 0.0 112.177 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -156.15 145.93 21.12 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.687 1.595 . . . . 0.0 110.424 173.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -137.33 177.03 8.18 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.066 1.746 . . . . 0.0 111.49 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 145.42 19.3 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.428 1.091 . . . . 0.0 112.328 175.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 p -130.21 159.24 71.34 Favored Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 127.225 2.21 . . . . 0.0 111.451 -173.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.96 134.2 27.0 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.673 2.249 . . . . 0.0 112.917 -174.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.5 t -157.63 132.16 8.45 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.668 1.987 . . . . 0.0 109.786 170.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tt -94.35 -81.78 0.37 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.54 1.136 . . . . 0.0 109.432 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.0 m -146.23 145.76 30.53 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.225 1.81 . . . . 0.0 109.023 170.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -60.58 -12.04 8.86 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -67.61 -22.48 65.35 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.76 2.024 . . . . 0.0 115.236 -170.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.2 tt -72.24 -24.77 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.2 1.4 . . . . 0.0 112.99 171.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.486 ' HB2' HD12 ' A' ' 25' ' ' ILE . 62.4 m-20 -95.7 87.7 4.77 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.959 -1.088 . . . . 0.0 112.917 -164.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.95 -24.32 51.98 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.421 1.088 . . . . 0.0 113.81 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.7 m -54.27 -35.22 62.31 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.123 1.769 . . . . 0.0 113.02 174.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.486 HD12 ' HB2' ' A' ' 22' ' ' ASP . 74.0 mt -67.56 -37.18 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.745 1.618 . . . . 0.0 111.617 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -77.59 -48.27 17.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.973 1.309 . . . . 0.0 112.242 -178.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -70.88 -19.53 62.61 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -130.15 96.03 26.33 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 124.439 1.096 . . . . 0.0 111.64 -170.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.55 -17.26 48.42 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.311 2.674 . . . . 0.0 115.028 -166.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.3 mtp -58.19 -22.72 52.86 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.67 1.188 . . . . 0.0 113.624 172.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.0 t -56.84 -56.83 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 123.677 0.791 . . . . 0.0 110.808 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -54.65 -39.64 68.23 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.857 1.263 . . . . 0.0 111.966 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.41 -36.54 84.48 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.764 1.226 . . . . 0.0 113.561 174.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.43 71.66 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.261 -0.9 . . . . 0.0 111.859 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.18 -40.7 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.242 0.928 . . . . 0.0 111.346 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -56.81 -30.75 64.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.27 1.028 . . . . 0.0 113.74 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.7 mtm -76.53 -10.97 59.78 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.11 -4.06 12.67 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.734 1.635 . . . . 0.0 115.619 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -68.42 162.86 24.53 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.273 1.537 . . . . 0.0 112.587 173.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 m -89.2 141.72 28.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.938 1.295 . . . . 0.0 112.16 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -50.12 -48.08 53.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.34 1.056 . . . . 0.0 113.111 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -29.44 70.22 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -75.36 -37.97 60.35 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.839 0.745 . . . . 0.0 111.925 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.79 -49.23 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 119.004 0.82 . . . . 0.0 111.173 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -40.98 76.77 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.681 -0.637 . . . . 0.0 111.657 174.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -48.6 71.71 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.75 1.22 . . . . 0.0 111.917 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 tt -67.86 -33.09 59.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.247 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.2 mtt -68.73 -51.21 43.94 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.475 1.034 . . . . 0.0 113.332 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.21 -37.73 75.39 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.929 1.24 . . . . 0.0 111.956 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -52.86 50.64 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.377 1.071 . . . . 0.0 111.437 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -51.66 -52.18 50.02 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.264 1.426 . . . . 0.0 111.777 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.67 -49.62 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.552 0.741 . . . . 0.0 110.649 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -62.34 -39.01 91.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.208 1.003 . . . . 0.0 113.625 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.7 mm -85.31 -52.4 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.421 1.489 . . . . 0.0 111.872 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 t -87.7 -26.79 22.78 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.558 1.543 . . . . 0.0 114.237 -171.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.12 -6.56 72.5 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.614 1.578 . . . . 0.0 115.638 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.7 p -144.42 148.03 34.11 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.839 1.656 . . . . 0.0 111.673 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -77.76 168.08 20.52 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.231 0.612 . . . . 0.0 111.848 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -65.14 140.84 58.83 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.787 1.235 . . . . 0.0 112.384 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -114.67 -13.22 12.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.099 1.76 . . . . 0.0 114.876 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.1 m -134.63 145.99 49.12 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.513 1.525 . . . . 0.0 110.912 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.55 -39.25 87.26 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.275 0.63 . . . . 0.0 112.028 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.1 -57.0 10.9 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.154 1.382 . . . . 0.0 112.832 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.74 -36.67 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.298 0.639 . . . . 0.0 112.094 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -56.91 16.02 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.308 1.043 . . . . 0.0 110.887 176.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 m -72.22 -33.44 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.153 0.981 . . . . 0.0 112.911 -174.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.25 82.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.686 0.795 . . . . 0.0 111.418 170.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -65.39 -38.1 88.97 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.637 -0.697 . . . . 0.0 112.17 175.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.9 mt -56.75 -54.13 49.78 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.786 1.175 . . . . 0.0 112.405 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.6 m -63.18 -39.31 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 118.776 0.716 . . . . 0.0 112.095 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -62.31 -41.69 98.73 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.831 0.852 . . . . 0.0 112.625 175.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.11 -54.58 23.87 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.731 1.212 . . . . 0.0 112.135 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -66.37 -20.1 65.98 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -64.93 -20.12 66.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.216 1.407 . . . . 0.0 114.027 168.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.5 91.83 3.64 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.82 1.648 . . . . 0.0 111.354 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.7 p -106.19 179.23 4.33 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.046 2.139 . . . . 0.0 112.498 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -129.83 167.53 17.99 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.158 1.783 . . . . 0.0 112.414 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -60.8 105.71 0.49 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.863 1.665 . . . . 0.0 111.924 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -143.93 137.03 27.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.774 1.63 . . . . 0.0 110.947 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -144.67 133.47 22.41 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.035 1.334 . . . . 0.0 111.808 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.5 p -152.84 155.49 37.2 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.042 0.937 . . . . 0.0 112.908 169.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 66.6 m -119.63 89.68 3.18 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.54 1.536 . . . . 0.0 110.725 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -117.89 3.83 12.19 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.463 1.505 . . . . 0.0 114.331 -177.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.2 p -65.93 142.97 57.7 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.939 1.296 . . . . 0.0 112.689 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.4 p -148.61 125.42 11.2 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.305 1.442 . . . . 0.0 111.327 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.96 153.79 26.08 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.318 1.047 . . . . 0.0 110.963 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -139.48 -66.11 0.47 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.104 1.362 . . . . 0.0 111.777 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -135.62 169.46 17.49 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.899 2.079 . . . . 0.0 111.636 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -118.48 57.21 0.86 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.863 1.665 . . . . 0.0 111.032 -174.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 49.1 mt -128.65 90.57 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.779 1.632 . . . . 0.0 109.904 -171.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.0 m -146.2 102.96 3.67 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.515 1.526 . . . . 0.0 111.525 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.2 t -61.88 -24.22 66.8 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -76.56 -30.5 57.08 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.206 -0.934 . . . . 0.0 112.862 172.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -80.06 -25.55 40.05 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.309 -0.869 . . . . 0.0 112.509 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -60.24 -17.72 43.84 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -176.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.45 -29.5 66.22 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.94 1.296 . . . . 0.0 112.562 169.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.48 -19.91 63.74 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.13 1.372 . . . . 0.0 113.571 173.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -66.72 -41.19 88.33 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.238 1.015 . . . . 0.0 111.06 172.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.58 -62.01 1.55 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.408 1.483 . . . . 0.0 110.348 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -87.98 71.55 9.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.183 0.993 . . . . 0.0 110.509 178.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.1 169.79 16.26 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.672 1.189 . . . . 0.0 113.19 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.6 107.56 0.83 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.014 1.326 . . . . 0.0 112.982 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -65.25 -42.55 93.21 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.406 1.883 . . . . 0.0 113.581 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.617 1.967 . . . . 0.0 113.269 -178.06 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 m -82.41 79.99 8.71 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.234 1.413 . . . . 0.0 111.911 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.4 -67.54 0.42 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.903 1.281 . . . . 0.0 112.418 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 34.7 mtt -91.65 161.63 14.83 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.914 1.286 . . . . 0.0 111.38 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.8 160.08 44.11 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.285 1.434 . . . . 0.0 111.158 170.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -140.31 95.53 2.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.362 1.065 . . . . 0.0 111.213 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.15 52.63 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.607 1.963 . . . . 0.0 111.66 -171.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.13 120.18 0.94 Allowed Glycine 0 CA--C 1.533 1.188 0 O-C-N 121.187 -0.946 . . . . 0.0 113.428 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.1 m -134.81 133.49 39.85 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.427 1.491 . . . . 0.0 111.648 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -113.36 -19.66 11.65 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.404 1.482 . . . . 0.0 114.219 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -131.18 94.63 3.61 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.632 1.973 . . . . 0.0 109.876 177.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -86.29 140.56 29.97 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.646 0.778 . . . . 0.0 111.232 171.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -143.38 158.22 43.82 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.141 1.776 . . . . 0.0 110.144 173.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -116.42 140.35 26.48 Favored Pre-proline 0 N--CA 1.477 0.879 0 C-N-CA 125.025 1.33 . . . . 0.0 110.944 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -70.69 135.48 28.32 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.759 2.306 . . . . 0.0 111.985 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.1 m -87.78 76.69 8.74 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.699 1.2 . . . . 0.0 111.562 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 tt -80.29 -58.49 3.11 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.879 0.872 . . . . 0.0 111.531 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 m -116.07 149.84 38.29 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.622 1.569 . . . . 0.0 110.556 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.3 ptt-85 -73.85 -0.5 16.12 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.9 ttm-85 -59.0 144.35 45.47 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.549 1.54 . . . . 0.0 111.062 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.5 pt -122.09 176.33 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.942 1.697 . . . . 0.0 110.378 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.68 116.69 32.19 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.632 0.773 . . . . 0.0 110.917 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -58.63 -19.76 41.8 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.253 -0.905 . . . . 0.0 113.304 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.1 m -62.6 -25.74 68.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.209 1.004 . . . . 0.0 112.994 172.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.406 HG12 HG11 ' A' ' 31' ' ' VAL . 43.9 mt -61.78 -48.76 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.347 1.059 . . . . 0.0 110.478 171.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -69.33 -44.3 71.97 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.119 0.568 . . . . 0.0 111.844 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -69.89 -22.64 63.21 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -125.29 96.89 38.32 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -171.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -66.98 -21.29 49.95 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.769 2.979 . . . . 0.0 114.137 -171.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 57.0 mtp -57.96 -23.11 52.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.762 1.225 . . . . 0.0 112.739 172.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.467 ' HA ' HG21 ' A' ' 44' ' ' ILE . 77.7 t -59.18 -59.08 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 123.35 0.66 . . . . 0.0 110.018 175.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -54.12 -42.57 69.61 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.626 0.77 . . . . 0.0 112.749 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -59.98 -41.48 92.1 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.555 1.142 . . . . 0.0 112.835 174.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.34 -55.48 33.08 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.887 0.767 . . . . 0.0 111.632 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -53.48 -41.77 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-N 120.269 1.395 . . . . 0.0 111.913 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -58.32 -25.74 62.24 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.552 1.141 . . . . 0.0 114.045 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.6 mtm -76.61 -3.98 40.58 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 171.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.68 9.64 28.32 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.527 1.537 . . . . 0.0 115.001 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' HB3' HD11 ' A' ' 44' ' ' ILE . 55.7 m-85 -76.2 175.72 8.74 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 118.737 1.268 . . . . 0.0 112.873 171.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 m -104.8 135.94 45.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.529 1.932 . . . . 0.0 110.828 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -52.02 -45.43 64.59 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.311 0.96 . . . . 0.0 112.813 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -44.3 68.45 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.276 1.43 . . . . 0.0 112.714 173.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.28 -40.5 86.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.552 0.614 . . . . 0.0 111.454 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.467 HG21 ' HA ' ' A' ' 31' ' ' VAL . 6.2 mm -68.03 -49.63 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 118.348 0.522 . . . . 0.0 111.725 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -41.68 90.38 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.328 -0.858 . . . . 0.0 112.069 175.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -62.56 -49.01 76.98 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.048 1.339 . . . . 0.0 111.812 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.584 HD11 ' HB3' ' A' ' 68' ' ' ASP . 10.5 tt -66.3 -38.5 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.263 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -57.3 12.51 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.167 0.894 . . . . 0.0 111.932 174.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.81 -44.29 81.84 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.667 0.667 . . . . 0.0 111.64 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -64.14 -48.2 76.98 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.062 0.945 . . . . 0.0 112.593 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -52.12 -53.98 36.06 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.702 1.201 . . . . 0.0 111.094 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.9 mt -68.83 -38.83 79.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 123.216 0.606 . . . . 0.0 110.903 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -63.92 -40.58 96.81 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.28 1.032 . . . . 0.0 112.881 176.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.3 mm -83.87 -54.48 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.084 1.354 . . . . 0.0 111.763 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.6 t -75.16 -48.58 22.97 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.872 1.669 . . . . 0.0 113.179 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.23 -10.33 24.52 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 126.161 1.838 . . . . 0.0 115.145 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.4 p -142.69 158.91 43.17 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.682 1.593 . . . . 0.0 112.421 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -71.02 174.04 6.75 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 112.353 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -65.9 152.4 44.56 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.208 1.403 . . . . 0.0 112.715 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -83.41 -55.55 4.25 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.478 1.511 . . . . 0.0 112.416 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.5 m -143.57 166.78 23.88 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.389 1.876 . . . . 0.0 110.834 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.87 -34.88 70.23 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.928 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -48.08 -51.43 24.46 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.564 1.075 . . . . 0.0 112.965 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.41 -40.09 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 122.927 0.491 . . . . 0.0 111.046 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -58.54 7.87 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.86 0.864 . . . . 0.0 111.263 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.3 m -65.72 -37.12 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.949 1.7 . . . . 0.0 112.379 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.13 -52.71 63.74 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.646 0.657 . . . . 0.0 111.232 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.584 ' HB3' HD11 ' A' ' 47' ' ' ILE . 16.6 m-20 -63.41 -36.21 82.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.594 -0.717 . . . . 0.0 111.731 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.34 -58.65 7.55 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.99 1.268 . . . . 0.0 111.952 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.2 m -62.06 -23.77 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 118.805 0.73 . . . . 0.0 112.956 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -87.06 -27.94 22.86 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.268 1.027 . . . . 0.0 113.72 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.84 -42.1 50.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.275 1.43 . . . . 0.0 111.922 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -63.47 -9.92 15.09 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -66.05 -25.18 66.93 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.791 1.237 . . . . 0.0 113.203 174.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -62.1 162.39 9.52 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.242 0.617 . . . . 0.0 111.483 171.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.4 p -62.01 155.6 23.45 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.376 -0.827 . . . . 0.0 112.012 176.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.0 ptm -140.8 170.72 15.22 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.459 1.104 . . . . 0.0 111.95 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -59.08 124.98 21.76 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.327 1.051 . . . . 0.0 110.493 175.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.33 126.05 26.54 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.274 1.03 . . . . 0.0 111.347 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -129.3 152.52 48.77 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.507 1.123 . . . . 0.0 112.555 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.7 m -103.73 153.12 21.04 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.212 1.405 . . . . 0.0 111.673 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.1 m -154.97 155.32 34.0 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.224 1.81 . . . . 0.0 110.772 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -139.14 87.66 2.22 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.69 1.196 . . . . 0.0 110.856 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.7 m -141.09 137.32 32.76 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.839 1.656 . . . . 0.0 110.322 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.2 m -140.35 171.09 14.63 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.398 1.879 . . . . 0.0 110.835 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.8 mt -116.3 158.03 24.05 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.283 1.433 . . . . 0.0 111.107 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -122.84 173.34 7.84 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.8 1.64 . . . . 0.0 111.572 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -121.67 152.03 39.81 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.175 1.79 . . . . 0.0 111.43 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -89.42 173.87 8.12 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.068 1.347 . . . . 0.0 112.98 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 39.1 mm -132.13 138.48 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.711 1.605 . . . . 0.0 110.319 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.5 m -100.67 84.68 2.78 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.646 1.579 . . . . 0.0 111.398 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.7 t -60.44 -24.29 65.1 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.346 1.059 . . . . 0.0 113.653 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.56 -35.87 75.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.849 1.26 . . . . 0.0 112.56 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -72.5 -28.86 63.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.99 0.916 . . . . 0.0 112.423 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -63.48 -37.96 89.29 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.854 0.861 . . . . 0.0 111.248 175.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.1 -36.71 73.29 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.092 1.357 . . . . 0.0 112.684 178.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -58.71 5.16 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.298 1.439 . . . . 0.0 109.928 174.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 45.2 ttm-85 -59.03 -23.79 62.27 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.379 1.472 . . . . 0.0 113.993 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -41.38 75.23 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.071 1.748 . . . . 0.0 112.225 172.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.45 89.47 0.35 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.37 1.068 . . . . 0.0 110.494 174.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -160.28 169.28 23.5 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.975 2.11 . . . . 0.0 110.098 175.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.34 157.92 35.53 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.737 1.615 . . . . 0.0 111.97 174.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -71.96 122.52 20.97 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.65 -0.656 . . . . 0.0 110.5 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.139 1.776 . . . . 0.0 110.704 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.085 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -59.11 146.72 37.67 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.353 1.461 . . . . 0.0 112.952 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.85 -175.03 4.97 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.847 1.659 . . . . 0.0 112.031 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.83 173.97 1.19 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.169 1.388 . . . . 0.0 112.159 169.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.71 150.72 9.2 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.862 1.265 . . . . 0.0 113.785 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.56 -14.2 49.01 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.754 1.622 . . . . 0.0 115.049 -169.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 tp -53.62 -43.96 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 125.032 1.333 . . . . 0.0 112.253 170.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.59 -94.46 0.05 OUTLIER Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.104 1.811 . . . . 0.0 113.827 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.6 m 53.76 30.28 10.97 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.929 2.092 . . . . 0.0 115.039 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.77 -24.01 63.45 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.379 1.072 . . . . 0.0 113.754 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.29 66.48 9.21 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.859 1.264 . . . . 0.0 111.956 -171.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -132.37 136.49 46.86 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.251 1.42 . . . . 0.0 112.552 -175.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -145.18 171.41 14.58 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.65 1.98 . . . . 0.0 112.506 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 p -79.2 159.17 73.4 Favored Pre-proline 0 N--CA 1.479 0.995 0 C-N-CA 125.966 1.706 . . . . 0.0 112.901 170.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -72.96 174.58 11.73 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.665 2.91 . . . . 0.0 112.86 171.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -119.07 -168.17 1.51 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.677 1.991 . . . . 0.0 111.74 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.12 98.83 0.08 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.075 1.75 . . . . 0.0 111.39 172.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.8 m -142.56 129.53 20.69 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.507 1.523 . . . . 0.0 110.241 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -71.84 -22.02 61.6 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -62.47 152.47 34.4 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.835 2.054 . . . . 0.0 111.859 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.1 pt -106.24 -178.86 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.837 1.655 . . . . 0.0 110.949 173.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -122.06 129.67 52.61 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.675 1.19 . . . . 0.0 111.139 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -61.26 -16.92 50.46 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.9 m -69.52 -21.85 63.63 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.786 -1.197 . . . . 0.0 112.835 171.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.11 -52.76 57.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.331 1.052 . . . . 0.0 110.199 170.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -69.98 -43.83 70.67 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -70.21 -18.21 63.16 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -131.76 93.34 28.11 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 124.219 1.008 . . . . 0.0 111.913 -170.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.61 -15.43 47.56 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.698 2.932 . . . . 0.0 115.085 -165.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.7 mtp -56.45 -23.73 40.8 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.296 1.438 . . . . 0.0 113.213 171.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.67 -58.08 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 124.633 1.173 . . . . 0.0 111.388 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -56.27 -38.99 71.93 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.781 0.832 . . . . 0.0 112.434 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -64.41 -33.85 76.81 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.75 1.22 . . . . 0.0 113.123 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.65 -51.56 58.57 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.098 -1.001 . . . . 0.0 112.078 173.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.33 -41.03 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.362 0.983 . . . . 0.0 111.34 175.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -55.02 -33.15 62.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.574 1.15 . . . . 0.0 113.855 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.8 mtm -75.37 -10.39 59.42 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.3 -3.52 13.92 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.481 1.515 . . . . 0.0 115.618 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -68.01 167.44 13.86 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.045 1.422 . . . . 0.0 112.13 171.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.3 m -101.31 143.47 31.33 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.74 1.216 . . . . 0.0 112.09 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.37 -46.86 56.26 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.56 1.144 . . . . 0.0 113.08 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -33.93 66.7 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.336 1.455 . . . . 0.0 113.756 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -76.17 -37.5 57.82 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.419 0.688 . . . . 0.0 112.319 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mm -69.31 -48.47 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 119.154 0.888 . . . . 0.0 111.113 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -40.92 84.74 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.692 -0.63 . . . . 0.0 111.83 175.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -53.18 60.51 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.951 1.7 . . . . 0.0 111.545 175.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 tt -67.33 -35.25 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 118.699 -0.667 . . . . 0.0 112.266 -177.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.7 mtt -67.98 -49.67 60.25 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.542 1.065 . . . . 0.0 112.89 174.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.54 -36.69 79.05 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.7 1.137 . . . . 0.0 111.936 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -53.78 39.58 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.044 0.937 . . . . 0.0 111.966 172.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -51.56 -51.86 51.94 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.385 1.474 . . . . 0.0 112.067 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -61.61 -48.31 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.65 0.78 . . . . 0.0 110.495 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -65.14 -35.12 80.09 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.4 mm -80.36 -61.38 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.431 1.492 . . . . 0.0 111.747 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -82.31 -25.96 33.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.197 1.399 . . . . 0.0 114.034 -168.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.02 -6.56 64.15 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.806 1.67 . . . . 0.0 115.284 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.5 p -144.13 162.15 37.02 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.774 1.63 . . . . 0.0 112.228 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -88.29 170.05 11.32 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.781 0.832 . . . . 0.0 111.901 175.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -61.24 150.74 33.68 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.435 1.494 . . . . 0.0 112.94 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -122.2 -17.6 7.11 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.7 m -143.11 150.2 39.15 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.166 1.786 . . . . 0.0 110.552 173.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.76 -38.73 79.12 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.357 0.663 . . . . 0.0 111.537 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -50.05 -48.04 53.13 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.955 1.302 . . . . 0.0 112.757 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.34 -44.7 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.056 0.942 . . . . 0.0 110.884 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -55.2 38.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.746 1.218 . . . . 0.0 111.127 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.53 -34.24 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.347 1.059 . . . . 0.0 112.932 -175.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.21 -49.06 77.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.485 0.714 . . . . 0.0 111.585 172.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -64.32 -39.29 93.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 118.817 -0.611 . . . . 0.0 112.0 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.0 mt -56.27 -55.41 33.63 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.37 1.068 . . . . 0.0 112.248 174.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -60.34 -44.5 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 118.972 0.805 . . . . 0.0 111.417 177.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -61.21 -37.76 84.16 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.002 0.819 . . . . 0.0 113.093 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.64 -43.35 69.39 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.773 1.229 . . . . 0.0 113.197 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -78.53 -24.58 45.65 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -64.07 166.91 7.01 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.369 1.468 . . . . 0.0 112.1 169.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.77 161.22 15.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.373 1.069 . . . . 0.0 112.908 171.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.9 m -72.78 77.21 1.13 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.279 1.432 . . . . 0.0 112.328 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 86.1 mmm -55.17 133.26 48.99 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.548 1.539 . . . . 0.0 111.713 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.7 160.16 19.69 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.224 1.81 . . . . 0.0 112.155 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -113.18 81.58 1.52 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.291 1.437 . . . . 0.0 111.329 -173.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -73.51 81.51 1.46 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.713 1.205 . . . . 0.0 111.054 176.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -60.86 -38.02 84.12 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.889 1.276 . . . . 0.0 112.449 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.2 m -60.52 118.66 6.78 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.826 1.65 . . . . 0.0 111.623 171.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.85 155.66 19.06 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.289 1.036 . . . . 0.0 112.713 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.2 m -61.84 104.51 0.46 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.606 1.562 . . . . 0.0 111.387 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.3 t -131.14 -42.37 1.09 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.621 1.568 . . . . 0.0 112.315 -176.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.79 151.73 49.5 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.326 1.85 . . . . 0.0 110.582 171.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -117.95 -5.37 11.02 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.133 1.373 . . . . 0.0 113.162 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -77.16 159.52 29.67 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.981 1.712 . . . . 0.0 112.887 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -153.64 174.5 14.4 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.422 2.289 . . . . 0.0 111.25 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 61.7 mt -120.85 103.36 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.2 1.4 . . . . 0.0 110.605 -175.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.4 m -79.78 52.62 1.49 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.9 1.68 . . . . 0.0 113.448 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.1 t -59.24 -30.3 68.16 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 120.681 -1.262 . . . . 0.0 113.058 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.93 -33.09 74.94 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.958 1.303 . . . . 0.0 112.909 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -75.01 -35.74 61.96 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.855 0.862 . . . . 0.0 111.941 177.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -60.83 -32.47 71.85 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.693 -0.629 . . . . 0.0 112.144 173.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -52.3 66.07 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.067 0.947 . . . . 0.0 110.923 174.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -61.99 -35.65 79.16 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.593 1.157 . . . . 0.0 113.312 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -60.42 -52.72 64.03 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.041 1.336 . . . . 0.0 111.279 175.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -54.74 9.55 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.704 1.202 . . . . 0.0 111.779 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -82.41 85.97 6.81 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.568 1.547 . . . . 0.0 111.453 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -132.42 169.21 16.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.599 1.56 . . . . 0.0 113.092 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -112.2 145.62 39.57 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.756 1.622 . . . . 0.0 111.196 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.39 170.93 16.89 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.365 1.466 . . . . 0.0 113.075 176.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--O 1.254 1.341 0 C-N-CA 126.795 2.038 . . . . 0.0 114.72 -176.841 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p -61.54 135.89 57.82 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 122.0 -0.706 . . . . 0.0 111.473 168.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.49 164.52 33.92 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.166 1.386 . . . . 0.0 111.921 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.3 ptp -154.29 161.35 41.84 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.224 1.41 . . . . 0.0 112.565 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.6 163.98 37.88 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.062 1.745 . . . . 0.0 111.15 170.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -144.08 91.9 2.27 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.066 1.346 . . . . 0.0 110.837 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.41 7.3 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 126.332 1.853 . . . . 0.0 113.267 -174.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -111.68 72.07 0.21 Allowed Glycine 0 CA--C 1.532 1.095 0 C-N-CA 126.197 1.856 . . . . 0.0 112.989 -176.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m -72.2 6.78 2.01 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.722 1.609 . . . . 0.0 114.708 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -70.95 -14.64 62.44 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.841 2.056 . . . . 0.0 115.636 -172.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -72.96 79.16 1.17 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.96 1.304 . . . . 0.0 113.079 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -77.29 -67.46 0.71 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.858 1.263 . . . . 0.0 111.755 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -142.76 171.91 13.41 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.733 2.413 . . . . 0.0 111.261 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.1 p -130.77 158.6 74.4 Favored Pre-proline 0 N--CA 1.478 0.967 0 C-N-CA 126.294 1.838 . . . . 0.0 111.879 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.49 159.65 45.9 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.958 2.439 . . . . 0.0 113.342 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 m -98.25 -12.75 21.28 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.289 1.436 . . . . 0.0 113.879 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.82 108.03 1.36 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.489 1.516 . . . . 0.0 110.179 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 m -129.89 150.07 51.34 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.617 1.567 . . . . 0.0 110.573 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -69.29 -0.49 6.26 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -138.62 146.87 42.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 128.288 2.635 . . . . 0.0 111.565 -173.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.6 tp -60.45 156.52 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.119 1.768 . . . . 0.0 113.347 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.63 -10.98 59.28 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.326 1.45 . . . . 0.0 114.26 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -57.61 -22.82 47.53 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.604 1.562 . . . . 0.0 115.025 -168.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 m -58.78 -28.32 65.83 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.828 1.251 . . . . 0.0 113.149 173.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.8 mt -58.22 -45.28 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.144 1.378 . . . . 0.0 111.178 171.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.64 -44.13 57.7 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.93 0.892 . . . . 0.0 112.178 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -71.6 -19.52 62.12 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -171.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -134.21 101.34 12.41 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.34 1.056 . . . . 0.0 112.229 -170.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.82 -15.28 40.39 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.395 2.73 . . . . 0.0 115.332 -167.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.4 mtp -60.09 -21.61 61.71 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.077 0.951 . . . . 0.0 112.825 171.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -60.27 -58.33 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.827 0.851 . . . . 0.0 111.02 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.25 -36.97 71.63 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.031 0.832 . . . . 0.0 112.683 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -62.88 -29.39 70.73 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.306 1.442 . . . . 0.0 113.388 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.27 -53.86 17.62 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.974 -1.079 . . . . 0.0 111.599 170.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -53.75 -40.07 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.117 0.871 . . . . 0.0 112.354 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.89 -23.17 60.72 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 mtm -81.05 -8.94 59.88 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.72 -3.5 17.4 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.709 1.623 . . . . 0.0 115.47 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -67.09 164.47 17.84 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.132 1.466 . . . . 0.0 112.36 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.3 m -99.11 138.66 35.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.827 1.251 . . . . 0.0 112.173 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -47.88 -48.84 31.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.115 1.366 . . . . 0.0 113.388 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -30.47 66.88 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.951 1.3 . . . . 0.0 114.056 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -77.95 -37.02 48.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.065 0.848 . . . . 0.0 111.574 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.98 -48.49 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 118.925 0.784 . . . . 0.0 111.144 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -42.76 85.45 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 118.859 0.754 . . . . 0.0 111.775 173.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -63.64 -40.55 97.15 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.201 1.401 . . . . 0.0 113.26 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.7 tt -76.32 -37.62 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.425 1.011 . . . . 0.0 112.171 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.6 mmt -58.12 -57.93 10.7 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.787 1.235 . . . . 0.0 111.965 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.28 -43.57 78.93 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.456 0.702 . . . . 0.0 111.828 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.34 -45.27 76.87 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.05 0.94 . . . . 0.0 112.217 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -55.33 -52.0 64.9 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.395 1.078 . . . . 0.0 111.301 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.06 -45.19 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.197 0.999 . . . . 0.0 110.887 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -61.17 -50.91 71.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.754 1.221 . . . . 0.0 113.056 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.8 mm -76.02 -53.86 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.306 1.443 . . . . 0.0 111.97 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.0 t -80.87 -34.61 33.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.426 1.09 . . . . 0.0 113.532 -174.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.04 -9.0 50.37 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.897 1.713 . . . . 0.0 114.986 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -141.35 161.98 36.59 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.418 1.487 . . . . 0.0 112.711 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -74.86 171.26 14.33 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.175 1.39 . . . . 0.0 111.933 175.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -64.21 149.34 48.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.875 1.67 . . . . 0.0 113.219 173.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -77.96 -58.76 3.09 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.583 1.553 . . . . 0.0 112.121 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 m -148.1 169.27 20.36 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 127.722 2.409 . . . . 0.0 110.194 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.9 -34.2 69.57 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.453 0.701 . . . . 0.0 112.667 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -50.69 -49.77 56.55 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.671 1.189 . . . . 0.0 112.779 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -69.27 -42.67 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.013 0.925 . . . . 0.0 110.727 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -55.58 33.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.111 1.365 . . . . 0.0 111.68 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.3 m -69.85 -33.14 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.064 0.946 . . . . 0.0 112.923 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.05 73.17 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.637 0.775 . . . . 0.0 111.456 172.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.66 -39.34 93.61 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.78 -0.629 . . . . 0.0 112.411 174.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.68 -59.27 5.09 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.284 0.947 . . . . 0.0 112.204 174.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.4 m -62.0 -34.46 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-N 118.81 0.732 . . . . 0.0 112.288 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -64.51 -44.82 89.73 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.144 0.978 . . . . 0.0 112.577 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.93 -32.64 69.6 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.815 1.246 . . . . 0.0 113.482 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -70.81 -34.19 71.47 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.967 0.907 . . . . 0.0 112.828 173.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -67.42 164.41 18.75 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.712 1.205 . . . . 0.0 112.402 171.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.1 t70 50.85 32.2 6.98 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.452 1.901 . . . . 0.0 114.144 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.1 t -63.09 156.97 23.38 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.568 1.147 . . . . 0.0 112.763 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 83.7 mtp -134.57 -44.59 0.75 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.074 1.35 . . . . 0.0 113.656 -174.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -75.52 128.11 34.58 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.421 0.688 . . . . 0.0 110.887 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -137.88 168.04 20.52 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.849 1.66 . . . . 0.0 111.759 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -130.31 164.17 25.2 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.097 1.759 . . . . 0.0 111.38 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.4 p -149.63 157.71 43.5 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.108 1.363 . . . . 0.0 112.333 174.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 76.4 p -163.01 165.52 24.77 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.742 1.217 . . . . 0.0 113.305 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -81.62 158.05 24.48 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.992 0.917 . . . . 0.0 111.958 169.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.0 m -145.54 129.25 17.17 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.664 1.185 . . . . 0.0 110.501 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.5 p -69.16 169.43 12.02 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.649 1.18 . . . . 0.0 112.961 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.79 175.7 9.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.472 1.509 . . . . 0.0 112.021 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -130.27 161.52 31.04 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.622 1.569 . . . . 0.0 111.579 174.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -151.33 160.05 43.99 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.373 1.469 . . . . 0.0 110.839 173.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.35 174.88 10.05 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.924 1.689 . . . . 0.0 111.214 173.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.6 tp -138.24 127.02 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.539 1.136 . . . . 0.0 110.785 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -72.7 91.49 1.47 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.006 0.923 . . . . 0.0 110.815 174.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 p -61.07 -21.53 63.75 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.624 1.169 . . . . 0.0 112.853 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -59.07 -29.85 67.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.998 1.319 . . . . 0.0 112.794 171.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -71.13 -27.9 63.9 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.197 -0.939 . . . . 0.0 112.404 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -68.27 -32.54 72.78 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.163 -0.96 . . . . 0.0 112.028 175.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.63 -26.63 67.16 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.02 0.928 . . . . 0.0 112.654 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -61.76 -27.57 68.83 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.516 1.126 . . . . 0.0 112.868 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -28.99 69.96 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.405 1.882 . . . . 0.0 112.864 174.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.29 -40.79 81.68 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.24 1.416 . . . . 0.0 111.675 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -64.36 114.83 4.54 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.076 1.351 . . . . 0.0 111.555 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -142.95 108.89 5.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.833 1.253 . . . . 0.0 111.975 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -96.29 113.41 25.01 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.108 1.363 . . . . 0.0 110.761 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -134.52 177.07 8.06 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.769 1.627 . . . . 0.0 112.353 173.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.629 1.972 . . . . 0.0 110.355 177.047 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -118.37 153.59 33.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.592 1.557 . . . . 0.0 111.78 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.83 164.26 26.87 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.972 0.909 . . . . 0.0 112.229 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 41.1 mtt -136.65 152.57 50.56 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.218 1.407 . . . . 0.0 111.564 172.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -103.29 -29.57 11.17 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.999 1.32 . . . . 0.0 112.47 170.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -65.59 -19.65 66.0 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.168 1.387 . . . . 0.0 113.893 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 tp -69.17 -21.23 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 C-N-CA 124.862 1.265 . . . . 0.0 112.918 171.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.16 131.55 10.47 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.979 1.276 . . . . 0.0 112.536 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.1 m -91.45 -59.53 2.12 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.348 1.059 . . . . 0.0 112.297 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 44.82 46.5 8.82 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.357 1.863 . . . . 0.0 113.111 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -129.46 99.02 5.04 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.513 1.525 . . . . 0.0 111.352 -174.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -83.95 110.74 18.66 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.04 1.336 . . . . 0.0 111.369 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -59.72 161.79 5.89 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.379 1.472 . . . . 0.0 111.923 170.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.5 t -111.46 143.67 28.96 Favored Pre-proline 0 N--CA 1.479 0.985 0 C-N-CA 124.614 1.166 . . . . 0.0 111.424 175.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.33 168.23 24.02 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.669 2.246 . . . . 0.0 111.757 170.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.3 p -61.72 -34.35 75.65 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.29 1.036 . . . . 0.0 113.123 173.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.5 tp -84.84 92.99 8.4 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.35 1.46 . . . . 0.0 110.973 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 t -119.29 176.78 5.17 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.191 1.797 . . . . 0.0 111.884 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -59.32 163.27 4.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.746 1.618 . . . . 0.0 112.196 172.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 tpp85 -61.38 160.13 11.37 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.01 1.324 . . . . 0.0 111.978 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.9 tt -54.26 125.61 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.083 0.953 . . . . 0.0 111.13 174.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -89.74 129.04 36.21 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.188 0.995 . . . . 0.0 110.897 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -59.01 -24.5 62.84 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 m -61.27 -28.06 68.91 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.638 1.175 . . . . 0.0 112.881 174.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.6 mt -57.01 -46.38 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.515 1.126 . . . . 0.0 110.628 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.25 -41.69 60.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.324 0.65 . . . . 0.0 112.215 179.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -70.66 -21.93 62.55 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.78 97.15 27.84 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.315 1.046 . . . . 0.0 112.089 -168.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.34 -18.05 49.78 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.369 2.713 . . . . 0.0 114.427 -170.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.8 mtp -56.79 -24.91 53.87 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.238 1.415 . . . . 0.0 113.093 171.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.54 -58.61 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.398 1.079 . . . . 0.0 111.002 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -51.87 -44.11 63.57 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 112.021 -178.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -62.21 -37.41 85.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.131 1.373 . . . . 0.0 113.335 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.66 46.91 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.119 0.872 . . . . 0.0 112.08 174.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.41 -39.6 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.583 1.083 . . . . 0.0 111.516 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.7 ttm-85 -59.4 -22.36 61.31 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.7 mtm -81.29 -8.9 59.82 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 171.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.25 -1.41 18.96 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.725 1.631 . . . . 0.0 115.53 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -68.38 166.72 16.07 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.076 1.438 . . . . 0.0 112.786 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -94.44 139.75 30.72 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.282 1.433 . . . . 0.0 112.143 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.35 -46.71 62.78 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.403 1.081 . . . . 0.0 112.957 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -51.81 -48.23 63.94 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.085 1.754 . . . . 0.0 112.469 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.42 -36.65 83.36 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.248 0.619 . . . . 0.0 112.485 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -68.51 -51.48 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 119.17 0.895 . . . . 0.0 111.496 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -39.19 79.78 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.025 0.829 . . . . 0.0 111.92 176.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -62.42 -51.19 68.52 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.378 1.071 . . . . 0.0 111.813 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -66.08 -37.67 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 118.767 -0.635 . . . . 0.0 112.298 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 mtt -65.33 -51.67 59.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.277 0.944 . . . . 0.0 112.689 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.74 -40.04 93.71 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.987 0.812 . . . . 0.0 111.944 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.62 -49.41 71.19 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.869 0.759 . . . . 0.0 112.13 174.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -53.39 -54.14 41.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.753 1.221 . . . . 0.0 111.416 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.44 -42.05 94.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.695 0.798 . . . . 0.0 111.161 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -62.23 -45.9 91.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.239 1.016 . . . . 0.0 113.178 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.0 mm -80.47 -51.53 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.016 1.326 . . . . 0.0 112.026 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.0 t -86.07 -32.08 21.58 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.393 1.477 . . . . 0.0 113.894 -173.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.6 -12.27 59.63 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.706 1.622 . . . . 0.0 115.273 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -137.89 163.37 31.64 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.96 1.704 . . . . 0.0 111.974 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -73.42 169.4 17.25 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.524 1.129 . . . . 0.0 112.563 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -59.0 148.4 30.92 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.78 1.232 . . . . 0.0 112.999 165.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -75.83 -59.44 2.75 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.058 1.743 . . . . 0.0 111.976 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 m -145.74 167.56 22.85 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.04 2.136 . . . . 0.0 110.556 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.85 -37.65 69.04 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.969 0.907 . . . . 0.0 112.242 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.56 -33.89 56.33 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.6 t -82.34 -44.63 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.539 0.736 . . . . 0.0 110.241 174.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.45 -55.18 31.47 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.775 1.23 . . . . 0.0 111.458 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.2 m -69.72 -34.61 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.804 1.242 . . . . 0.0 113.044 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.58 73.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.767 0.827 . . . . 0.0 111.312 172.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.32 -36.96 85.62 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.67 -0.681 . . . . 0.0 112.144 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.9 mt -56.75 -56.27 23.63 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.765 1.166 . . . . 0.0 112.211 172.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.78 -40.64 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 118.807 0.731 . . . . 0.0 111.668 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -64.33 -38.62 91.67 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.075 0.852 . . . . 0.0 113.291 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.83 -39.55 61.57 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.876 1.27 . . . . 0.0 113.292 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -74.54 -27.2 60.42 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.59 171.92 1.02 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.67 1.588 . . . . 0.0 112.833 169.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.0 t70 62.55 16.59 8.89 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 126.958 2.103 . . . . 0.0 113.978 -174.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 92.9 p -72.99 167.67 20.61 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.855 1.662 . . . . 0.0 113.056 174.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 76.4 mtp -76.82 169.12 18.89 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.602 0.761 . . . . 0.0 111.849 164.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -93.92 140.54 29.57 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.546 1.538 . . . . 0.0 110.722 174.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -143.9 138.98 28.95 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.457 1.503 . . . . 0.0 110.774 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -142.6 123.46 14.33 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.097 1.359 . . . . 0.0 110.734 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.9 p -61.79 -62.93 1.45 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.334 1.454 . . . . 0.0 112.571 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.6 t -157.19 154.77 29.8 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.907 1.683 . . . . 0.0 111.507 169.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -79.91 156.46 27.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.571 1.148 . . . . 0.0 113.101 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.0 p -100.61 81.03 2.26 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.448 1.499 . . . . 0.0 112.135 -175.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.2 m -79.64 5.71 12.5 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.375 1.47 . . . . 0.0 114.908 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.5 142.66 55.21 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.072 1.349 . . . . 0.0 111.901 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -76.54 154.81 34.22 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.208 1.003 . . . . 0.0 111.384 173.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -139.91 166.41 24.72 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.122 1.769 . . . . 0.0 111.999 174.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -153.7 139.04 17.58 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.043 1.337 . . . . 0.0 111.656 171.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.2 mt -104.88 -35.27 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.866 1.267 . . . . 0.0 110.741 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.5 t -76.23 78.45 3.02 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.795 1.238 . . . . 0.0 112.223 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.6 t -63.25 -32.33 73.71 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.902 0.881 . . . . 0.0 112.132 170.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -56.72 -44.64 81.82 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.009 1.324 . . . . 0.0 112.766 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -63.46 -21.36 66.26 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -74.71 -46.11 39.83 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.346 -0.846 . . . . 0.0 110.75 169.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 70.4 mt -62.21 -33.69 75.03 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.646 1.179 . . . . 0.0 112.659 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -56.55 -26.01 53.69 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.253 1.421 . . . . 0.0 114.195 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -74.13 -29.13 61.67 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.255 0.934 . . . . 0.0 113.26 174.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -86.02 -39.16 17.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.864 1.266 . . . . 0.0 111.791 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -64.69 129.16 38.77 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.184 1.394 . . . . 0.0 111.365 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -120.68 102.78 8.63 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.037 1.335 . . . . 0.0 111.644 -176.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.11 121.5 14.87 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.747 1.219 . . . . 0.0 111.488 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -145.89 157.66 43.89 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.107 1.763 . . . . 0.0 111.915 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.23 0 C-N-CA 125.856 1.663 . . . . 0.0 111.265 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -152.02 154.87 36.84 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.35 1.06 . . . . 0.0 111.538 165.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.25 169.23 15.95 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.793 1.237 . . . . 0.0 112.215 170.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.5 ptp -144.47 178.53 7.88 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.98 1.712 . . . . 0.0 111.841 174.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.92 110.28 0.78 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.217 1.407 . . . . 0.0 112.329 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -136.02 107.16 6.75 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.74 1.616 . . . . 0.0 111.169 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.5 pt -108.11 -2.71 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 125.139 1.376 . . . . 0.0 114.042 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.25 -93.52 1.87 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.469 1.509 . . . . 0.0 112.408 -175.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.2 m -141.82 119.22 11.55 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.019 1.327 . . . . 0.0 112.309 -173.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -93.68 -18.35 22.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.845 1.258 . . . . 0.0 114.055 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -73.15 169.98 15.9 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.906 1.282 . . . . 0.0 112.595 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 55.1 21.57 3.96 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.385 1.874 . . . . 0.0 114.748 -175.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -126.35 168.16 14.53 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.652 1.981 . . . . 0.0 112.092 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -132.08 162.36 57.17 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 127.458 2.303 . . . . 0.0 111.172 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -65.5 168.83 13.78 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 171.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.3 m -55.82 171.53 0.22 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.521 1.929 . . . . 0.0 113.528 175.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.7 mt -58.6 106.81 0.43 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 122.283 1.039 . . . . 0.0 112.01 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -65.69 168.57 7.5 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.758 2.023 . . . . 0.0 111.071 173.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 170.05 3.58 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.918 1.287 . . . . 0.0 111.76 176.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.6 ttt85 -54.49 172.22 0.1 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 127.767 2.427 . . . . 0.0 112.985 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 tt -42.64 113.31 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 126.33 1.852 . . . . 0.0 112.962 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.21 135.45 49.07 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.172 0.989 . . . . 0.0 110.79 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -61.49 -21.02 63.82 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.5 m -58.98 -29.94 67.58 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.796 1.639 . . . . 0.0 113.264 171.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.98 -47.54 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.662 1.185 . . . . 0.0 110.569 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -71.59 -42.55 67.6 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.566 0.746 . . . . 0.0 112.602 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -70.31 -20.42 63.02 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -175.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -131.49 97.36 19.52 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.214 1.005 . . . . 0.0 112.707 -170.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.39 -15.96 42.76 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.702 2.934 . . . . 0.0 115.229 -167.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.6 mtp -57.69 -25.34 60.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.586 1.154 . . . . 0.0 112.597 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 81.5 t -57.91 -54.91 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.195 0.998 . . . . 0.0 111.042 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -56.47 -42.34 78.08 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.414 0.686 . . . . 0.0 112.271 -175.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -62.18 -36.11 80.87 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.601 1.16 . . . . 0.0 113.401 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.99 -54.75 37.25 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.132 0.878 . . . . 0.0 111.399 173.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -54.66 -39.65 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.028 -1.045 . . . . 0.0 111.7 174.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -59.36 -24.49 63.44 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.9 mtm -80.47 -8.9 59.73 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 172.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.67 -1.89 20.03 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.709 1.623 . . . . 0.0 115.477 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -67.38 163.77 20.04 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.184 1.492 . . . . 0.0 112.351 171.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.2 m -92.97 141.25 28.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.007 1.323 . . . . 0.0 112.031 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -49.66 -46.42 49.7 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.819 1.247 . . . . 0.0 112.842 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -54.96 -45.2 74.88 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.925 1.29 . . . . 0.0 112.726 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -65.5 -38.36 89.51 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.993 -0.527 . . . . 0.0 112.169 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mm -68.81 -51.79 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 118.851 0.751 . . . . 0.0 111.589 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -40.58 83.13 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.889 0.768 . . . . 0.0 112.156 177.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -51.81 67.39 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.84 1.656 . . . . 0.0 112.273 174.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 tt -68.42 -35.35 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 119.276 0.944 . . . . 0.0 112.606 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -57.68 11.33 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.055 0.942 . . . . 0.0 111.539 173.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.46 -40.73 83.46 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.641 0.655 . . . . 0.0 112.044 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -66.59 -46.26 76.54 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.781 0.719 . . . . 0.0 112.776 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -55.6 -49.27 73.23 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.394 0.997 . . . . 0.0 111.572 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.97 -44.26 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 123.772 0.829 . . . . 0.0 110.906 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -62.8 -45.28 93.39 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.493 1.117 . . . . 0.0 112.977 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.2 mm -79.68 -55.08 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.32 1.448 . . . . 0.0 111.787 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -79.46 -43.36 23.4 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.273 1.029 . . . . 0.0 113.109 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.61 -10.2 19.15 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.92 1.724 . . . . 0.0 115.032 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -145.49 167.21 23.54 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.422 1.489 . . . . 0.0 112.919 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -82.75 169.68 15.9 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.796 1.238 . . . . 0.0 112.073 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -59.47 149.96 28.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.755 2.422 . . . . 0.0 113.793 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.468 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -81.67 -53.23 6.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.485 1.514 . . . . 0.0 112.728 179.706 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -145.9 166.01 27.24 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.272 1.829 . . . . 0.0 110.774 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.24 -35.19 69.4 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.354 0.662 . . . . 0.0 112.07 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -50.19 -50.03 50.69 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.77 1.228 . . . . 0.0 112.623 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.0 t -69.88 -42.5 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.923 0.889 . . . . 0.0 110.789 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.08 -55.5 34.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.701 1.2 . . . . 0.0 111.698 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.59 -34.03 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.767 1.227 . . . . 0.0 112.903 -176.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.38 -51.7 66.54 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.592 0.757 . . . . 0.0 111.239 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -65.4 -33.15 75.28 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 118.67 -0.681 . . . . 0.0 112.179 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -58.05 -60.97 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.648 1.179 . . . . 0.0 112.393 170.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.58 -37.64 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.229 0.922 . . . . 0.0 111.849 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -59.19 -50.12 75.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.524 1.13 . . . . 0.0 112.222 173.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.85 95.99 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.299 1.04 . . . . 0.0 112.381 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -61.96 -19.0 62.3 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -68.42 -16.47 63.92 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.401 1.0 . . . . 0.0 113.564 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -131.93 171.19 13.88 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.881 2.072 . . . . 0.0 111.428 -177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m -72.85 117.1 14.15 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.973 -1.08 . . . . 0.0 111.835 171.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 53.0 tpp -54.95 -35.28 64.08 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.631 1.573 . . . . 0.0 113.427 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.72 20.53 17.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.054 1.742 . . . . 0.0 113.86 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -61.45 89.89 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.414 1.486 . . . . 0.0 112.912 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -147.88 151.57 36.12 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.374 1.87 . . . . 0.0 110.625 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.6 p -62.29 -52.99 61.48 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.351 1.46 . . . . 0.0 113.598 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.8 p -102.55 112.47 25.22 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.243 1.817 . . . . 0.0 111.815 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -134.14 118.19 17.41 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.178 1.791 . . . . 0.0 110.677 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.5 p -75.91 45.33 0.34 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.864 2.065 . . . . 0.0 113.131 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.1 m -74.52 -31.39 62.13 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.988 1.315 . . . . 0.0 113.56 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.8 mp 51.91 26.68 3.79 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 127.282 2.233 . . . . 0.0 113.991 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -92.51 158.11 16.19 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.795 1.638 . . . . 0.0 113.403 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -81.18 177.46 9.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.526 1.93 . . . . 0.0 111.998 168.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 56.04 22.04 5.56 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.656 1.982 . . . . 0.0 114.312 -172.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 13.8 tt -92.63 -18.0 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.13 1.372 . . . . 0.0 113.186 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.8 p -81.76 25.11 0.56 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.377 2.271 . . . . 0.0 114.259 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.6 p -58.72 -19.34 39.18 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.53 1.532 . . . . 0.0 114.807 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -46.92 -40.26 13.85 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.763 1.625 . . . . 0.0 112.516 167.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -68.8 -52.89 25.33 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.506 1.122 . . . . 0.0 112.495 178.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -67.94 -31.44 71.19 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.14 -0.975 . . . . 0.0 113.06 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.17 -29.82 65.67 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.329 -0.857 . . . . 0.0 113.143 175.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.7 -29.01 69.07 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.214 1.005 . . . . 0.0 112.764 174.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 72.8 ttt-85 -64.32 -37.54 87.86 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.792 1.237 . . . . 0.0 112.66 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.0 -62.09 1.58 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.302 1.041 . . . . 0.0 110.958 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -106.07 80.6 1.53 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.756 1.223 . . . . 0.0 110.222 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.27 -53.04 33.5 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.088 0.955 . . . . 0.0 112.05 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -144.32 161.56 38.65 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.949 2.099 . . . . 0.0 111.292 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.69 165.64 35.32 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.008 1.723 . . . . 0.0 112.687 170.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.253 1.252 0 C-N-CA 126.727 2.011 . . . . 0.0 111.388 171.721 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.119 -0.392 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -64.73 146.79 54.28 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.349 1.059 . . . . 0.0 113.348 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.03 -28.91 55.05 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.71 1.204 . . . . 0.0 113.807 176.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 53.7 mtt 37.06 60.8 0.96 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.202 2.201 . . . . 0.0 113.928 -174.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -131.09 106.55 8.44 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.399 1.48 . . . . 0.0 112.342 -169.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.02 -24.43 66.16 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.31 1.444 . . . . 0.0 114.497 -177.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 tp -65.34 -16.49 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 C-N-CA 125.565 1.546 . . . . 0.0 113.714 174.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.71 -161.54 48.1 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 121.098 -1.001 . . . . 0.0 113.3 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -132.89 129.81 38.85 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.23 1.412 . . . . 0.0 110.949 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -126.61 76.62 1.64 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.581 1.552 . . . . 0.0 110.694 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -148.49 178.14 8.86 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.153 1.381 . . . . 0.0 112.061 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.82 135.98 57.86 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.378 1.071 . . . . 0.0 112.611 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -12.25 22.09 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.448 1.499 . . . . 0.0 114.221 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -118.47 155.75 51.77 Favored Pre-proline 0 N--CA 1.476 0.841 0 C-N-CA 126.519 1.927 . . . . 0.0 113.059 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -73.38 165.28 32.93 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 123.563 2.842 . . . . 0.0 112.275 174.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -70.08 -24.06 63.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.321 1.049 . . . . 0.0 113.476 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.02 84.95 2.91 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.425 1.49 . . . . 0.0 111.359 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -66.8 155.04 39.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.961 1.304 . . . . 0.0 110.637 167.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -109.81 169.02 8.99 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.093 1.357 . . . . 0.0 112.064 175.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -63.83 162.45 13.56 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.125 0.97 . . . . 0.0 111.762 164.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.1 tt -54.3 165.88 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 126.908 2.083 . . . . 0.0 112.35 173.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' H ' HD12 ' A' ' 25' ' ' ILE . 29.1 t70 -132.63 155.11 49.33 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.938 1.695 . . . . 0.0 110.717 173.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -56.73 -36.89 70.24 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.216 1.006 . . . . 0.0 112.725 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 m -63.86 -26.49 68.64 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -174.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.406 HD12 ' H ' ' A' ' 22' ' ' ASP . 62.1 mt -55.41 -43.89 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.428 1.091 . . . . 0.0 111.181 170.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -85.63 -40.44 16.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.02 0.928 . . . . 0.0 112.61 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -68.94 -23.2 64.13 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -131.91 106.83 13.9 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.177 0.991 . . . . 0.0 112.467 -176.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.59 -13.56 35.28 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.448 2.765 . . . . 0.0 115.035 -169.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.2 mtp -58.7 -25.65 63.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.363 1.065 . . . . 0.0 112.535 172.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.0 t -59.71 -56.31 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.55 1.14 . . . . 0.0 111.082 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -50.38 -45.43 55.32 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.679 1.192 . . . . 0.0 112.324 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -62.82 -35.34 79.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.942 1.297 . . . . 0.0 113.722 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.09 -50.63 67.58 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.194 -0.941 . . . . 0.0 111.478 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -56.82 -38.89 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 121.276 -0.89 . . . . 0.0 111.364 172.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -59.88 -22.38 62.26 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.7 mtm -82.05 -10.47 59.21 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 171.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.64 -1.79 15.61 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.634 1.587 . . . . 0.0 115.845 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -68.13 164.6 19.98 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.289 1.545 . . . . 0.0 112.988 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.3 m -89.41 139.17 30.79 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.665 1.186 . . . . 0.0 112.103 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -49.62 -45.37 48.16 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.3 1.04 . . . . 0.0 112.964 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -55.84 -35.25 66.21 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.398 1.879 . . . . 0.0 113.559 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -74.47 -43.83 54.32 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.927 0.785 . . . . 0.0 111.987 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.5 -47.47 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 118.288 0.495 . . . . 0.0 111.013 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.85 85.71 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.492 0.587 . . . . 0.0 112.374 174.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -46.98 79.77 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.638 1.175 . . . . 0.0 112.082 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 tt -70.35 -36.57 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 118.851 0.75 . . . . 0.0 112.149 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.5 mmt -58.26 -59.79 4.77 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.01 1.324 . . . . 0.0 111.989 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.32 -41.62 89.51 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.4 0.545 . . . . 0.0 111.915 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -69.48 -43.02 74.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.066 0.947 . . . . 0.0 111.889 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -53.47 -57.28 11.22 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.684 1.194 . . . . 0.0 110.768 170.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.52 -43.4 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.759 0.823 . . . . 0.0 111.375 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.81 -48.77 80.36 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.959 1.304 . . . . 0.0 112.999 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.6 mm -77.56 -55.36 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.379 1.071 . . . . 0.0 112.24 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 t -78.9 -25.72 43.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.802 1.641 . . . . 0.0 113.913 -171.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.36 -5.71 84.42 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.352 1.453 . . . . 0.0 114.895 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -149.63 157.88 43.65 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.224 1.41 . . . . 0.0 112.37 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -67.89 172.66 5.2 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.404 1.882 . . . . 0.0 112.372 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -63.58 143.11 58.09 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.594 1.557 . . . . 0.0 112.786 173.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -67.7 -55.69 12.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.885 1.674 . . . . 0.0 112.936 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.7 m -146.29 166.07 27.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.826 1.65 . . . . 0.0 111.302 -173.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.7 mt -53.68 -41.41 66.87 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.539 1.136 . . . . 0.0 111.974 177.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -50.22 -52.39 36.25 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.702 1.601 . . . . 0.0 112.741 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.22 -44.18 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.943 0.897 . . . . 0.0 110.579 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -55.44 34.26 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.713 1.205 . . . . 0.0 111.618 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.97 -33.64 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.189 0.996 . . . . 0.0 113.078 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.85 73.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.205 0.602 . . . . 0.0 111.367 171.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.32 -35.0 79.43 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.875 -0.583 . . . . 0.0 112.46 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -58.21 -61.05 2.85 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.323 0.965 . . . . 0.0 112.017 171.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.1 m -59.56 -34.23 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 119.233 0.924 . . . . 0.0 112.324 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -62.82 -53.76 49.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.056 1.342 . . . . 0.0 112.488 173.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.02 -29.62 69.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.231 1.012 . . . . 0.0 113.161 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -92.93 6.9 46.17 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.39 1.476 . . . . 0.0 114.382 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -57.07 -51.69 68.28 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.805 1.184 . . . . 0.0 112.826 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -118.14 162.08 18.8 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.758 1.623 . . . . 0.0 112.043 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.6 m -140.64 145.63 36.86 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.882 1.273 . . . . 0.0 111.174 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.8 mmt -77.62 -22.78 50.25 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -66.74 138.58 57.49 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.927 0.785 . . . . 0.0 111.794 175.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -69.31 155.0 41.15 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.508 0.723 . . . . 0.0 111.029 170.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -67.17 159.26 29.34 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.188 -0.945 . . . . 0.0 112.111 173.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -142.03 157.34 45.04 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.124 0.969 . . . . 0.0 112.318 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.2 m -72.84 138.58 46.41 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.603 1.161 . . . . 0.0 111.411 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -142.76 139.94 31.23 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.075 1.35 . . . . 0.0 110.206 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -99.03 92.45 5.5 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.966 0.907 . . . . 0.0 110.42 -176.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.9 t -75.38 83.98 2.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.551 1.14 . . . . 0.0 111.532 178.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.05 70.04 3.4 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.83 1.652 . . . . 0.0 112.507 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.14 125.59 26.52 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.135 0.974 . . . . 0.0 112.138 172.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.45 162.7 40.48 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.991 1.716 . . . . 0.0 112.112 171.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -86.82 160.87 18.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.473 1.109 . . . . 0.0 112.268 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.9 mm -100.55 105.07 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.963 1.305 . . . . 0.0 111.278 -173.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 71.1 m -76.86 -22.65 53.19 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 29.1 p -66.55 -33.53 75.87 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.109 -0.994 . . . . 0.0 112.828 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -57.88 -44.38 86.65 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.306 -0.871 . . . . 0.0 111.713 172.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.81 -49.3 71.18 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.965 0.906 . . . . 0.0 112.713 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -66.15 -38.24 87.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.808 0.731 . . . . 0.0 112.558 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.29 -40.53 93.94 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.499 -0.751 . . . . 0.0 111.909 174.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -65.45 -18.61 65.45 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.733 1.213 . . . . 0.0 113.785 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -76.71 -54.31 6.82 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.25 0.932 . . . . 0.0 111.83 169.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.422 HD12 ' H ' ' A' ' 101' ' ' GLU . 4.1 pp -75.83 -37.18 59.29 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -174.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 47.86 24.5 0.6 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 127.432 2.293 . . . . 0.0 116.181 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.422 ' H ' HD12 ' A' ' 99' ' ' LEU . 2.2 tp10 -119.46 162.21 19.24 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.268 1.827 . . . . 0.0 111.15 -176.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -70.59 94.56 1.0 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.802 1.241 . . . . 0.0 111.861 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -64.28 173.74 1.9 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.451 1.501 . . . . 0.0 113.286 168.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.084 1.754 . . . . 0.0 112.169 173.042 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m -136.64 170.07 16.67 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.791 2.036 . . . . 0.0 111.131 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.35 164.45 17.93 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.402 1.481 . . . . 0.0 112.572 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.6 tpt -65.77 -44.4 85.94 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.091 1.357 . . . . 0.0 113.543 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.54 53.29 1.18 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.274 1.43 . . . . 0.0 112.27 -170.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.07 -20.7 64.28 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tp -69.63 -19.41 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 125.555 1.542 . . . . 0.0 113.714 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.3 -126.41 25.44 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.051 -1.03 . . . . 0.0 112.413 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.7 m -132.63 166.35 22.34 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.739 1.616 . . . . 0.0 112.388 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -131.47 25.24 4.79 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.426 1.49 . . . . 0.0 113.473 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -121.32 96.54 5.12 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.894 1.678 . . . . 0.0 112.288 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -96.69 57.19 1.56 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.991 1.316 . . . . 0.0 111.89 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -139.77 164.17 30.66 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.979 1.712 . . . . 0.0 111.91 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 p -97.68 160.9 27.53 Favored Pre-proline 0 N--CA 1.479 0.987 0 C-N-CA 126.344 1.858 . . . . 0.0 112.675 175.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.46 -45.32 0.84 Allowed 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.071 2.514 . . . . 0.0 112.859 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.6 p -81.75 157.08 24.66 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.007 1.323 . . . . 0.0 112.661 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.83 -81.1 0.08 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.189 1.396 . . . . 0.0 111.33 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 m -148.11 158.42 44.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.584 1.954 . . . . 0.0 109.88 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -124.57 -179.17 4.38 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.928 2.091 . . . . 0.0 111.014 174.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -50.08 160.78 0.32 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.429 1.492 . . . . 0.0 113.092 170.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.4 pt -58.5 162.17 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.098 0.959 . . . . 0.0 111.754 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -137.28 120.75 17.09 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.34 1.056 . . . . 0.0 110.282 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -55.55 -30.79 61.4 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -54.98 -27.66 45.65 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.382 1.873 . . . . 0.0 113.667 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.6 mt -55.7 -45.54 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.489 1.116 . . . . 0.0 110.795 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.0 -41.95 16.73 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.002 1.321 . . . . 0.0 111.703 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -67.81 -25.08 65.4 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.161 0.984 . . . . 0.0 113.574 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -132.68 104.27 13.15 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.538 1.135 . . . . 0.0 112.148 -175.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -68.53 -13.19 36.78 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.521 2.814 . . . . 0.0 114.784 -169.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.3 mtp -59.38 -24.26 63.28 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.279 1.032 . . . . 0.0 112.527 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.43 -58.52 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.269 0.628 . . . . 0.0 111.242 173.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -50.85 -45.04 59.63 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.307 1.043 . . . . 0.0 112.276 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -62.37 -35.94 80.72 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.973 1.309 . . . . 0.0 113.634 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.28 -54.23 32.21 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.24 -0.912 . . . . 0.0 111.808 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -54.21 -39.65 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.684 1.129 . . . . 0.0 111.689 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -55.66 -29.96 60.18 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.3 mtm -76.54 -8.12 56.56 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.57 -0.9 21.91 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.788 1.661 . . . . 0.0 115.163 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -67.76 165.36 17.51 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 118.934 1.367 . . . . 0.0 112.704 172.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 m -95.42 138.8 32.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.46 1.504 . . . . 0.0 111.813 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -50.91 -48.14 60.63 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.045 0.938 . . . . 0.0 113.283 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -52.84 -43.81 66.28 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.34 1.856 . . . . 0.0 112.852 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -43.8 86.66 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.964 0.906 . . . . 0.0 111.214 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.09 -50.64 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.13 0.423 . . . . 0.0 111.379 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -38.93 84.91 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.593 -0.692 . . . . 0.0 112.196 176.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -49.41 76.08 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.099 0.96 . . . . 0.0 112.203 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -68.02 -37.67 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 118.736 0.698 . . . . 0.0 112.078 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -55.81 27.6 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.573 1.149 . . . . 0.0 112.065 174.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.07 -40.57 89.96 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.684 0.675 . . . . 0.0 112.141 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -66.4 -48.56 69.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.569 0.748 . . . . 0.0 112.634 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -53.63 -51.83 61.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.438 1.095 . . . . 0.0 111.359 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.9 mt -62.72 -45.75 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.481 0.713 . . . . 0.0 111.224 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -61.36 -46.35 90.61 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.104 0.866 . . . . 0.0 112.778 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -76.45 -51.53 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.696 1.198 . . . . 0.0 112.078 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 t -85.06 -33.86 22.39 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.168 1.387 . . . . 0.0 113.917 -171.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.12 -18.49 36.3 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 126.356 1.932 . . . . 0.0 115.209 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.3 m -140.25 165.53 27.14 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.029 1.732 . . . . 0.0 112.111 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -74.66 170.48 15.72 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.559 1.144 . . . . 0.0 112.453 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -59.31 147.12 37.1 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.213 1.805 . . . . 0.0 113.274 175.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -76.8 -50.15 14.18 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.658 1.583 . . . . 0.0 113.271 -175.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.8 m -153.09 167.55 28.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.445 2.298 . . . . 0.0 110.246 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.48 -34.16 70.57 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 118.323 -0.846 . . . . 0.0 112.434 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -51.57 -51.67 53.55 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.788 1.176 . . . . 0.0 112.739 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.64 -42.69 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.443 0.697 . . . . 0.0 110.478 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -56.2 25.0 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.625 1.17 . . . . 0.0 111.424 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -70.18 -33.94 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.846 1.258 . . . . 0.0 113.09 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.37 67.96 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.453 0.701 . . . . 0.0 111.305 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.96 -35.06 79.45 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 118.832 -0.604 . . . . 0.0 112.296 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 mt -57.36 -61.67 2.31 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.513 1.052 . . . . 0.0 112.252 172.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 m -60.74 -33.63 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.367 0.985 . . . . 0.0 112.16 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -63.42 -47.84 80.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.306 1.043 . . . . 0.0 112.777 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.2 66.14 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.637 1.175 . . . . 0.0 113.469 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.54 -37.96 77.28 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.364 1.066 . . . . 0.0 112.663 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -64.31 155.51 31.94 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.749 0.704 . . . . 0.0 111.731 170.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t0 57.5 16.97 3.58 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 126.339 1.856 . . . . 0.0 114.961 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.7 p -66.53 -53.25 36.92 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.879 1.672 . . . . 0.0 113.027 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 96.3 mmm -138.55 165.64 26.36 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.113 2.565 . . . . 0.0 110.931 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -69.56 153.14 43.91 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.461 1.104 . . . . 0.0 111.805 175.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -80.06 91.86 5.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.111 1.364 . . . . 0.0 111.275 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -72.96 90.6 1.49 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.788 1.235 . . . . 0.0 111.812 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.8 m -138.9 114.81 10.08 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.762 1.625 . . . . 0.0 110.719 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t -60.02 127.29 31.15 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.781 0.832 . . . . 0.0 111.161 174.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -142.94 153.01 42.64 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.212 1.405 . . . . 0.0 110.977 -175.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.6 m -78.53 78.44 4.99 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.053 0.941 . . . . 0.0 110.68 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.7 t -153.64 162.16 41.51 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.644 1.978 . . . . 0.0 111.066 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 mp -111.02 79.15 1.17 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.632 1.573 . . . . 0.0 110.437 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -81.58 157.71 24.65 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.649 0.78 . . . . 0.0 112.786 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -116.6 -6.87 11.63 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.471 1.908 . . . . 0.0 115.16 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -122.96 99.74 6.53 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.033 1.733 . . . . 0.0 110.535 -177.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.6 tt -149.82 146.31 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.97 1.308 . . . . 0.0 111.869 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.5 m -76.49 64.67 2.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.603 1.561 . . . . 0.0 112.383 176.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.8 t -58.5 -32.92 69.25 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.985 0.914 . . . . 0.0 112.957 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.39 -33.78 75.44 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.025 -1.047 . . . . 0.0 113.011 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -73.18 -36.64 66.61 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.912 0.885 . . . . 0.0 111.238 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -61.22 -35.42 77.15 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.857 0.863 . . . . 0.0 112.701 175.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.1 mt -55.33 -37.46 67.44 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.297 0.953 . . . . 0.0 112.492 175.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -65.64 -31.78 72.99 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.7 1.2 . . . . 0.0 112.787 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -45.16 69.51 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.263 1.025 . . . . 0.0 111.486 172.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.64 -42.6 93.12 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.349 1.06 . . . . 0.0 112.358 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -79.35 77.2 5.91 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.542 1.137 . . . . 0.0 112.623 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -86.85 96.34 10.18 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.288 1.435 . . . . 0.0 111.732 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -69.99 153.26 43.46 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.949 -1.095 . . . . 0.0 112.28 174.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -66.42 -30.17 70.48 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.294 1.838 . . . . 0.0 113.977 -174.338 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.499 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.6 p -66.94 161.52 23.95 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.23 1.012 . . . . 0.0 112.446 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.28 167.14 25.0 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.929 1.292 . . . . 0.0 112.322 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.6 ptp -151.49 150.05 29.93 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.688 1.595 . . . . 0.0 111.692 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.28 162.66 41.05 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.608 1.563 . . . . 0.0 111.214 173.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -134.54 90.45 2.66 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.231 1.413 . . . . 0.0 110.543 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.7 pt -112.53 34.98 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.505 1.922 . . . . 0.0 112.118 -175.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.07 -142.77 11.96 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 126.624 2.059 . . . . 0.0 112.675 173.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.1 m -136.0 131.76 35.43 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.0 1.32 . . . . 0.0 111.558 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.18 -5.53 10.45 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.191 1.796 . . . . 0.0 113.955 -175.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -79.97 -17.48 52.83 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.876 1.27 . . . . 0.0 114.164 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -78.66 140.49 38.38 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.914 1.285 . . . . 0.0 112.708 -174.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -121.61 19.44 11.16 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 126.312 1.845 . . . . 0.0 113.96 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 p -115.56 159.13 39.78 Favored Pre-proline 0 N--CA 1.479 1.002 0 C-N-CA 126.322 1.849 . . . . 0.0 112.09 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.82 172.86 14.46 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 123.123 2.549 . . . . 0.0 112.181 173.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.3 p -62.81 155.39 26.96 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.38 1.072 . . . . 0.0 113.363 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -82.74 89.5 6.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.072 1.349 . . . . 0.0 111.243 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -137.48 148.92 46.44 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.953 1.301 . . . . 0.0 111.08 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -68.2 -8.65 40.68 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.616 1.567 . . . . 0.0 115.202 175.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.0 ttt85 -55.42 108.54 0.44 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.285 2.234 . . . . 0.0 111.7 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.8 tp -66.59 148.3 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.962 0.905 . . . . 0.0 111.305 173.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -85.33 57.23 4.33 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.198 1.799 . . . . 0.0 112.965 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -57.66 -21.16 38.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.412 1.085 . . . . 0.0 113.726 174.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.4 m -56.09 -27.93 55.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.292 1.437 . . . . 0.0 112.933 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -56.5 -49.49 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.249 1.42 . . . . 0.0 111.098 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -74.95 -42.29 57.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.856 0.862 . . . . 0.0 112.353 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -68.45 -22.08 64.6 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -174.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -131.83 101.72 15.27 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.591 1.156 . . . . 0.0 112.197 -172.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.48 -15.5 41.82 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.596 2.864 . . . . 0.0 115.188 -167.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.1 mtp -58.95 -25.31 63.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.841 0.857 . . . . 0.0 112.832 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.22 -56.64 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.43 0.692 . . . . 0.0 110.461 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -51.79 -45.32 63.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.912 0.885 . . . . 0.0 112.416 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -60.97 -35.9 77.98 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.929 1.291 . . . . 0.0 113.417 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.58 56.46 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.344 -0.848 . . . . 0.0 112.219 174.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.44 -38.14 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.237 0.926 . . . . 0.0 111.314 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -59.43 -23.85 63.02 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.0 mtm -81.79 -9.22 59.68 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 172.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.08 -2.55 14.49 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.711 1.625 . . . . 0.0 115.739 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -68.11 162.12 25.4 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.292 1.546 . . . . 0.0 112.9 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.4 m -87.85 141.52 28.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.906 1.282 . . . . 0.0 111.986 175.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -51.03 -45.01 61.13 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.146 0.978 . . . . 0.0 112.993 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -42.85 69.63 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.165 1.786 . . . . 0.0 113.038 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.56 -41.49 92.89 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.461 0.573 . . . . 0.0 111.553 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mm -70.1 -49.22 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 118.529 0.604 . . . . 0.0 111.746 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -43.42 85.0 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.89 0.768 . . . . 0.0 111.602 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -58.99 -53.89 53.26 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.354 1.462 . . . . 0.0 111.829 175.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 tt -67.24 -34.93 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 118.784 0.72 . . . . 0.0 112.657 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.4 mmt -61.11 -58.08 9.87 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.95 0.9 . . . . 0.0 111.836 172.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.04 -38.53 86.48 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.866 0.757 . . . . 0.0 112.38 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.19 -50.74 69.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.284 1.033 . . . . 0.0 111.769 174.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -54.38 -50.45 67.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.796 1.238 . . . . 0.0 111.849 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.91 -49.45 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.653 0.781 . . . . 0.0 110.895 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -64.0 -43.13 96.63 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.568 1.147 . . . . 0.0 113.421 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.0 mm -77.4 -53.2 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.324 1.45 . . . . 0.0 111.946 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -89.59 -35.02 16.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.183 1.393 . . . . 0.0 114.086 -169.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.49 -17.59 25.83 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 126.021 1.772 . . . . 0.0 115.135 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.1 p -144.14 156.51 44.36 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.897 1.679 . . . . 0.0 111.69 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -82.12 170.39 15.55 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.73 0.812 . . . . 0.0 113.151 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -63.86 143.64 57.69 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.524 1.129 . . . . 0.0 112.279 175.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -113.17 -15.65 12.72 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.0 p -136.82 152.53 50.38 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.949 1.3 . . . . 0.0 110.911 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.36 -31.43 72.21 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.743 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -53.06 -55.88 20.38 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.257 1.023 . . . . 0.0 112.624 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.5 -37.81 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.981 -0.449 . . . . 0.0 112.088 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -56.33 22.98 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.876 0.87 . . . . 0.0 111.097 178.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.0 m -70.27 -33.58 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.288 1.035 . . . . 0.0 112.753 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.84 75.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.507 0.723 . . . . 0.0 111.666 171.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -65.4 -37.76 87.94 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.692 -0.63 . . . . 0.0 112.091 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.0 mt -56.91 -56.97 14.8 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.243 1.017 . . . . 0.0 112.324 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.5 -41.42 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.909 0.777 . . . . 0.0 111.349 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -61.41 -45.17 95.46 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.091 0.86 . . . . 0.0 112.703 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.91 -33.18 71.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -19.36 32.14 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -66.13 179.78 0.88 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.536 1.935 . . . . 0.0 113.199 168.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -55.13 -19.6 7.98 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.549 2.74 . . . . 0.0 115.312 168.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.7 t -73.71 85.45 1.64 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.671 1.188 . . . . 0.0 111.489 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 43.5 mtm -65.15 164.39 13.21 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.777 1.231 . . . . 0.0 111.857 170.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -126.19 139.48 53.32 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.337 1.455 . . . . 0.0 110.913 173.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -70.66 167.51 18.47 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.071 0.949 . . . . 0.0 111.89 175.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 58.53 15.41 3.57 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.597 1.959 . . . . 0.0 114.779 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.3 t -55.09 -60.07 3.89 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.808 1.643 . . . . 0.0 113.826 -172.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -159.82 173.44 15.98 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.415 1.486 . . . . 0.0 111.622 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -141.09 116.24 9.94 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.746 1.619 . . . . 0.0 111.084 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 54.3 m -92.95 125.55 37.6 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.279 1.432 . . . . 0.0 111.11 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.5 p -106.38 0.6 25.05 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.025 1.73 . . . . 0.0 114.469 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.58 165.58 12.06 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.115 1.366 . . . . 0.0 112.779 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -129.58 169.72 14.66 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.399 1.88 . . . . 0.0 112.049 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -120.0 120.22 35.71 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.571 1.948 . . . . 0.0 110.229 -173.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -57.33 145.55 31.93 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.837 1.255 . . . . 0.0 113.979 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.1 tt -67.9 137.57 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.113 0.965 . . . . 0.0 111.762 176.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.1 t -76.87 123.8 26.79 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.759 0.824 . . . . 0.0 111.648 174.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.3 m -60.06 -20.58 58.78 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.3 1.04 . . . . 0.0 112.619 174.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -56.45 -31.62 64.14 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.729 1.212 . . . . 0.0 112.713 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -71.43 -26.12 62.61 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.13 -0.981 . . . . 0.0 113.225 174.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -73.64 -28.98 62.07 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.314 -0.866 . . . . 0.0 112.248 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.15 -21.87 66.48 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.818 0.847 . . . . 0.0 113.031 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -61.47 -24.82 66.83 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.117 0.967 . . . . 0.0 113.05 171.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -77.04 -21.57 54.3 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.198 1.399 . . . . 0.0 113.862 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.51 -56.53 13.47 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.218 1.007 . . . . 0.0 111.614 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.16 147.05 52.82 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.063 0.545 . . . . 0.0 110.741 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -129.7 135.67 48.77 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.861 1.264 . . . . 0.0 110.945 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -132.75 168.23 18.72 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.639 1.576 . . . . 0.0 111.996 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -125.12 126.8 45.88 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.798 1.639 . . . . 0.0 110.228 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.808 1.643 . . . . 0.0 113.9 177.153 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 p -129.15 126.42 39.23 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.73 1.612 . . . . 0.0 112.027 -174.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.37 -49.84 51.7 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.293 1.037 . . . . 0.0 112.499 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -83.71 107.72 16.32 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.015 1.326 . . . . 0.0 110.309 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.9 7.95 6.74 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.717 1.607 . . . . 0.0 113.359 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -99.83 69.41 1.57 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.979 2.111 . . . . 0.0 112.065 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.4 -0.68 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.04 1.736 . . . . 0.0 114.076 177.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.66 -66.11 1.19 Allowed Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.208 1.385 . . . . 0.0 112.856 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -145.3 173.69 11.75 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.907 1.683 . . . . 0.0 111.76 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -136.78 -9.38 1.84 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.698 1.599 . . . . 0.0 114.802 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -148.64 101.59 3.23 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.617 1.167 . . . . 0.0 111.318 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -75.14 116.48 15.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.289 1.035 . . . . 0.0 111.108 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -65.82 173.29 2.97 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.325 1.05 . . . . 0.0 112.479 170.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 p -62.37 153.12 77.54 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.797 1.239 . . . . 0.0 113.225 174.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.01 -27.3 25.46 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.137 2.558 . . . . 0.0 113.714 -175.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.0 m -139.57 148.71 42.92 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.416 1.886 . . . . 0.0 110.266 173.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt -99.0 -57.52 2.15 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.358 1.463 . . . . 0.0 110.321 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.0 m -63.92 129.24 39.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.222 1.809 . . . . 0.0 112.287 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -80.33 142.47 34.45 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.263 1.425 . . . . 0.0 111.505 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -144.08 148.42 35.12 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.577 2.351 . . . . 0.0 110.41 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.5 tp -68.74 161.16 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.63 1.172 . . . . 0.0 111.096 167.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.405 ' H ' HD12 ' A' ' 25' ' ' ILE . 16.9 t70 -148.54 142.12 25.45 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.58 1.552 . . . . 0.0 110.344 170.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.27 -21.5 66.61 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.1 m -66.32 -26.59 67.37 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.825 -1.172 . . . . 0.0 112.71 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.405 HD12 ' H ' ' A' ' 22' ' ' ASP . 85.3 mt -58.85 -45.03 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.885 1.274 . . . . 0.0 110.986 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.85 -32.37 59.73 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.983 0.913 . . . . 0.0 112.865 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -84.41 -18.46 35.95 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -174.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -130.57 101.67 17.12 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 124.33 1.052 . . . . 0.0 112.253 -167.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.52 -17.01 43.56 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.247 2.631 . . . . 0.0 114.635 -169.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.2 mtp -59.56 -23.74 63.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.447 1.099 . . . . 0.0 112.952 171.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.04 -61.58 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.844 0.858 . . . . 0.0 110.336 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -53.86 -40.95 66.96 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.489 1.116 . . . . 0.0 112.467 -176.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -61.18 -33.3 73.22 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.845 1.258 . . . . 0.0 113.605 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.18 -52.34 35.53 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.131 0.878 . . . . 0.0 111.832 174.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -53.91 -39.61 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 119.225 0.92 . . . . 0.0 111.468 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -58.87 -21.29 56.82 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.9 mtm -83.45 -9.78 58.79 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 171.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.53 -2.72 13.81 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.776 1.655 . . . . 0.0 115.565 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -68.28 168.22 12.85 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.142 1.471 . . . . 0.0 113.006 173.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 m -99.86 134.03 43.36 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.693 1.597 . . . . 0.0 111.828 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -46.39 -48.59 18.59 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.097 1.359 . . . . 0.0 113.228 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -29.62 63.02 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.126 1.771 . . . . 0.0 114.598 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -85.0 -36.62 21.18 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.049 0.84 . . . . 0.0 111.502 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.7 -50.35 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 118.526 0.603 . . . . 0.0 110.683 175.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -35.42 78.36 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.516 -0.74 . . . . 0.0 112.464 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -50.14 69.1 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.188 0.995 . . . . 0.0 111.656 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -67.55 -35.84 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.452 0.569 . . . . 0.0 112.024 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.7 mmt -59.67 -57.89 10.98 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.672 1.189 . . . . 0.0 112.321 172.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.62 -40.49 92.11 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.851 0.75 . . . . 0.0 111.964 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.07 -45.57 80.83 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.689 0.796 . . . . 0.0 112.072 177.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -53.52 -57.42 10.77 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.847 1.259 . . . . 0.0 110.948 172.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.38 -44.19 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.603 0.761 . . . . 0.0 111.153 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.72 -46.73 89.29 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.835 1.254 . . . . 0.0 113.226 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -81.36 -52.53 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.64 1.176 . . . . 0.0 112.184 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.1 t -81.55 -27.45 34.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.933 1.693 . . . . 0.0 113.897 -173.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.52 -6.97 77.89 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.658 1.599 . . . . 0.0 115.207 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.5 m -147.65 162.02 39.98 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.001 1.72 . . . . 0.0 112.242 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -64.94 178.23 0.85 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 126.465 1.906 . . . . 0.0 112.997 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.31 150.78 45.99 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.639 1.175 . . . . 0.0 112.554 170.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -75.48 -56.31 4.83 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.841 1.656 . . . . 0.0 112.408 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.3 m -144.97 166.46 25.24 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.846 2.058 . . . . 0.0 110.523 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.12 -34.55 70.34 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.264 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -52.53 -50.57 62.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.173 0.989 . . . . 0.0 112.67 177.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.9 -45.15 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.966 0.907 . . . . 0.0 110.46 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.0 -56.63 18.37 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.082 1.353 . . . . 0.0 111.468 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.72 -34.52 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.299 1.04 . . . . 0.0 112.9 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.35 -49.22 77.81 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.66 0.664 . . . . 0.0 111.362 171.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.55 -34.43 78.24 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.464 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 mt -59.67 -58.08 10.12 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.823 1.192 . . . . 0.0 112.351 171.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.3 m -62.89 -26.79 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.739 0.7 . . . . 0.0 112.704 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -68.99 -58.1 4.57 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.438 1.095 . . . . 0.0 111.482 169.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.35 -35.18 71.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.179 1.392 . . . . 0.0 113.767 -176.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -16.91 53.9 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 175.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -80.45 -31.04 37.51 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.658 1.183 . . . . 0.0 113.22 168.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.4 p30 -121.22 36.13 4.69 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.313 1.445 . . . . 0.0 114.097 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.4 p -55.02 162.69 1.23 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.031 1.733 . . . . 0.0 113.165 170.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 60.3 mtp -135.71 162.67 32.09 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.195 0.998 . . . . 0.0 112.756 -172.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -79.63 67.8 5.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.569 1.548 . . . . 0.0 111.941 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.85 140.19 58.84 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.107 0.963 . . . . 0.0 112.099 172.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -69.02 120.47 14.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.736 1.214 . . . . 0.0 111.024 176.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.8 t -141.06 118.38 11.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.765 1.226 . . . . 0.0 111.932 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.9 p -60.53 135.07 57.64 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.445 1.498 . . . . 0.0 112.83 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -79.62 88.79 5.12 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.628 1.171 . . . . 0.0 111.129 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.9 p -63.88 161.24 15.93 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 121.22 -0.925 . . . . 0.0 112.041 171.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 m 59.48 22.52 11.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.589 1.556 . . . . 0.0 115.021 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.86 -28.55 69.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.847 1.259 . . . . 0.0 114.297 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -72.23 120.67 18.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.851 1.261 . . . . 0.0 111.35 -176.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -137.43 166.11 24.62 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.66 1.584 . . . . 0.0 112.674 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.73 130.78 43.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.256 1.422 . . . . 0.0 110.315 172.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.94 110.83 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.7 1.2 . . . . 0.0 110.596 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.3 p -112.49 30.5 7.05 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.682 1.993 . . . . 0.0 113.55 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 t -69.53 -30.34 68.15 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.843 -1.16 . . . . 0.0 113.326 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -26.4 65.08 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.681 -1.262 . . . . 0.0 113.915 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.2 mp0 -63.38 -37.33 86.87 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.946 -1.096 . . . . 0.0 112.338 169.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.46 -36.93 82.14 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.383 -0.823 . . . . 0.0 111.861 174.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.5 tp -56.18 -44.62 79.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.449 0.7 . . . . 0.0 111.24 174.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.0 tpt85 -62.52 -39.76 94.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.191 0.996 . . . . 0.0 112.89 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -64.56 -45.37 87.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.17 1.388 . . . . 0.0 112.216 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.7 mt -65.17 -45.16 86.02 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.375 1.47 . . . . 0.0 112.976 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -75.65 91.44 2.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.799 1.24 . . . . 0.0 112.26 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -133.69 106.56 7.43 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.64 1.576 . . . . 0.0 111.525 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.95 117.57 12.63 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.621 1.169 . . . . 0.0 111.272 173.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.81 157.98 26.24 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.013 0.925 . . . . 0.0 112.987 177.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.318 1.847 . . . . 0.0 110.781 -178.808 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -149.32 156.7 42.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.219 1.408 . . . . 0.0 111.16 173.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.26 153.32 31.95 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.401 1.08 . . . . 0.0 112.444 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.3 mmm -139.33 117.22 11.64 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.03 1.732 . . . . 0.0 110.822 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.4 74.8 2.48 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.815 1.246 . . . . 0.0 111.844 175.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -138.67 84.18 2.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.151 1.38 . . . . 0.0 111.875 -176.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.2 pt -96.1 -1.86 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.93 1.692 . . . . 0.0 114.152 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.49 122.39 6.33 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.987 1.28 . . . . 0.0 112.979 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 m -140.57 154.09 46.36 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.913 1.685 . . . . 0.0 110.485 171.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -128.43 -53.64 1.27 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.999 0.919 . . . . 0.0 113.278 -173.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -77.45 177.14 8.24 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.641 1.176 . . . . 0.0 111.636 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -142.74 143.77 32.38 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.535 1.134 . . . . 0.0 111.551 172.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -90.49 161.9 15.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.005 1.322 . . . . 0.0 111.843 173.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 p -71.5 155.15 92.98 Favored Pre-proline 0 N--CA 1.477 0.914 0 C-N-CA 124.468 1.107 . . . . 0.0 112.108 168.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.25 153.03 50.88 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.516 2.811 . . . . 0.0 112.514 178.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.7 p -142.41 5.89 1.66 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.889 1.676 . . . . 0.0 113.951 -177.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.6 tp -63.46 -36.77 84.85 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.884 1.674 . . . . 0.0 113.757 -171.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 t -152.64 -169.84 3.46 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.546 1.938 . . . . 0.0 110.865 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 ptp85 -55.57 166.81 0.6 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.343 1.857 . . . . 0.0 112.869 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.67 114.14 27.69 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.549 1.14 . . . . 0.0 111.853 174.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.9 tt -119.95 112.38 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.238 1.815 . . . . 0.0 111.145 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -93.3 -9.64 38.22 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.857 1.263 . . . . 0.0 113.874 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -57.02 -28.04 62.15 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.719 -1.238 . . . . 0.0 113.554 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 m -62.09 -26.16 68.12 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.221 1.408 . . . . 0.0 113.342 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.4 mt -59.76 -43.44 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.622 1.169 . . . . 0.0 111.001 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -43.77 59.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.536 0.734 . . . . 0.0 112.362 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -71.36 -19.03 62.34 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.46 92.07 32.84 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.838 1.255 . . . . 0.0 111.023 -167.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.3 -16.75 48.94 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.101 2.534 . . . . 0.0 114.621 -168.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.8 mtp -54.83 -26.89 38.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.084 1.353 . . . . 0.0 113.274 169.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.83 -54.45 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 123.826 0.851 . . . . 0.0 111.241 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -56.2 -41.67 75.93 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.544 0.738 . . . . 0.0 112.33 -176.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -63.21 -34.94 78.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.938 1.295 . . . . 0.0 113.088 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -51.17 62.37 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.289 -0.882 . . . . 0.0 111.917 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -55.43 -41.93 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.231 0.923 . . . . 0.0 111.369 173.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -56.24 -29.47 61.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.625 1.17 . . . . 0.0 114.011 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.5 mtm -76.42 -12.67 60.09 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.17 -5.32 9.52 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.454 1.502 . . . . 0.0 115.837 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -66.52 156.22 35.48 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.254 1.527 . . . . 0.0 111.978 171.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.0 m -82.17 149.22 28.05 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.118 -0.989 . . . . 0.0 111.871 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.86 -49.18 59.64 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.699 1.199 . . . . 0.0 112.973 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.61 -44.75 37.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.642 1.977 . . . . 0.0 112.789 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.89 -42.91 97.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.758 0.823 . . . . 0.0 110.781 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mm -70.35 -53.32 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 123.226 0.61 . . . . 0.0 110.901 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -38.22 72.36 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.93 176.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -62.21 -52.37 64.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.735 1.214 . . . . 0.0 111.977 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 tt -66.47 -32.65 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 118.921 0.782 . . . . 0.0 112.132 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mtt -66.61 -51.49 55.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.965 0.802 . . . . 0.0 113.133 174.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.87 -38.79 83.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.357 0.98 . . . . 0.0 111.775 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.78 -49.74 67.25 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.425 -0.797 . . . . 0.0 113.116 171.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -55.02 -48.19 73.7 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.286 0.948 . . . . 0.0 111.548 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.91 -48.55 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.965 0.906 . . . . 0.0 111.011 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -64.7 -50.53 66.58 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.057 0.943 . . . . 0.0 113.402 -177.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.3 mm -74.94 -53.83 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.931 1.692 . . . . 0.0 111.679 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 t -88.14 -20.43 25.65 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.5 1.12 . . . . 0.0 113.916 -171.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.61 -12.67 68.46 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 125.884 1.707 . . . . 0.0 115.348 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.6 p -149.88 154.96 39.2 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.867 1.667 . . . . 0.0 111.837 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -78.58 168.05 20.34 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.338 1.055 . . . . 0.0 112.677 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -61.06 155.2 20.86 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.394 1.477 . . . . 0.0 112.988 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -126.95 -4.97 6.28 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.482 1.513 . . . . 0.0 114.778 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.6 t -143.72 149.09 36.65 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.748 1.619 . . . . 0.0 110.151 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.6 -30.9 70.98 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 118.944 -0.55 . . . . 0.0 111.564 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -55.62 -55.48 31.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.525 1.13 . . . . 0.0 112.396 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.63 -37.63 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.273 0.629 . . . . 0.0 111.801 175.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -56.29 24.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.306 1.042 . . . . 0.0 111.447 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.78 -33.02 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.308 1.043 . . . . 0.0 112.815 -175.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.63 70.93 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.838 0.855 . . . . 0.0 111.517 171.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.14 -36.21 83.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 118.713 -0.66 . . . . 0.0 112.299 176.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.0 mt -56.47 -60.59 3.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.288 1.035 . . . . 0.0 111.764 173.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -58.51 -39.2 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 119.34 0.973 . . . . 0.0 111.912 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.91 -49.12 78.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.222 1.009 . . . . 0.0 112.743 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.3 -27.77 66.59 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.564 1.146 . . . . 0.0 113.388 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -73.98 -21.39 60.02 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.701 1.2 . . . . 0.0 113.42 173.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -76.05 174.62 9.79 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.511 1.051 . . . . 0.0 111.764 169.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.08 36.33 26.73 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.427 1.491 . . . . 0.0 113.454 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.78 156.1 9.27 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 127.0 2.12 . . . . 0.0 113.921 -174.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 99.1 mmm -67.65 151.7 46.85 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.798 0.839 . . . . 0.0 112.186 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -76.54 135.77 39.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.476 0.711 . . . . 0.0 112.131 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -164.36 -173.29 3.03 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 127.348 2.259 . . . . 0.0 112.001 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -140.05 145.47 37.76 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.12 1.368 . . . . 0.0 111.971 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 97.6 p -149.88 161.48 42.2 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.499 1.52 . . . . 0.0 111.735 166.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.9 p -91.26 160.78 15.34 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.807 1.243 . . . . 0.0 111.812 168.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -149.91 146.18 26.93 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.213 1.405 . . . . 0.0 110.585 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.2 p -136.64 131.02 33.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.351 1.461 . . . . 0.0 112.446 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 64.1 m -137.79 165.91 25.3 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.256 1.822 . . . . 0.0 112.279 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.1 mt -100.01 118.77 37.1 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.972 1.709 . . . . 0.0 111.864 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -91.03 -37.05 13.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.693 1.197 . . . . 0.0 113.159 175.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -72.5 118.81 15.86 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.761 1.624 . . . . 0.0 111.14 -177.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -142.68 175.67 9.63 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.17 1.788 . . . . 0.0 110.839 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.7 mm -56.68 139.38 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.833 1.253 . . . . 0.0 110.672 171.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.9 t -133.05 138.31 46.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.761 1.624 . . . . 0.0 110.96 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.3 t -58.1 -21.12 44.78 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.126 1.37 . . . . 0.0 114.283 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -59.96 -29.02 68.14 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.982 0.913 . . . . 0.0 112.752 173.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -73.41 -39.61 64.92 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.964 -1.085 . . . . 0.0 111.679 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -63.02 -24.37 67.89 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.263 -0.898 . . . . 0.0 113.156 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.1 -29.74 68.79 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 119.557 1.071 . . . . 0.0 113.063 171.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -73.27 -21.01 60.7 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.27 0.941 . . . . 0.0 113.259 174.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -28.94 61.71 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.615 1.566 . . . . 0.0 112.226 176.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.7 mt -56.71 -46.61 81.14 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.357 1.463 . . . . 0.0 113.25 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 51.76 30.93 7.43 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.376 1.87 . . . . 0.0 113.885 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.09 90.64 3.43 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.334 1.853 . . . . 0.0 110.909 -175.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -64.04 124.16 20.89 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.147 1.379 . . . . 0.0 111.319 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -142.26 159.76 41.59 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.321 1.448 . . . . 0.0 113.144 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--O 1.251 1.173 0 C-N-CA 126.875 2.07 . . . . 0.0 110.727 177.348 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.414 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -126.69 164.32 21.56 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.379 1.871 . . . . 0.0 111.581 178.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.62 -60.94 0.19 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.54 1.536 . . . . 0.0 111.812 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.5 mtm -69.91 163.89 24.99 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.98 1.312 . . . . 0.0 112.111 174.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.54 158.48 44.33 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.186 1.394 . . . . 0.0 112.391 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -108.36 78.3 1.16 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.184 1.394 . . . . 0.0 111.72 -173.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 pt -80.05 -8.64 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.609 1.164 . . . . 0.0 114.133 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.24 -111.85 3.41 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.146 1.355 . . . . 0.0 112.112 -173.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 t -150.35 176.96 10.42 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.093 1.357 . . . . 0.0 112.257 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -125.12 -66.02 0.99 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.273 1.829 . . . . 0.0 111.794 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -69.72 159.42 33.54 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.921 0.888 . . . . 0.0 112.666 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -123.3 80.92 1.83 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.673 1.589 . . . . 0.0 110.934 -177.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -76.78 150.71 36.16 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.107 0.963 . . . . 0.0 111.432 167.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.1 p -145.33 161.1 43.11 Favored Pre-proline 0 N--CA 1.48 1.059 0 C-N-CA 125.832 1.653 . . . . 0.0 111.694 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -70.72 175.98 8.14 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 123.225 2.617 . . . . 0.0 112.597 172.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 t -52.14 141.43 18.61 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.862 1.665 . . . . 0.0 114.004 -175.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.04 115.89 28.26 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.876 1.671 . . . . 0.0 110.793 -177.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 m -132.36 143.32 49.76 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.898 1.279 . . . . 0.0 110.57 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -0.86 8.34 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -52.63 110.41 0.51 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.561 2.345 . . . . 0.0 111.853 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.8 pt -71.6 176.7 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.05 1.34 . . . . 0.0 112.546 176.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -148.47 140.54 23.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.406 1.482 . . . . 0.0 110.215 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -61.74 -19.14 62.11 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.83 -1.168 . . . . 0.0 112.879 170.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.8 m -63.72 -24.93 67.97 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.023 -1.048 . . . . 0.0 113.026 170.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.85 -49.6 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.244 1.017 . . . . 0.0 110.236 170.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -70.06 -44.36 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.064 0.946 . . . . 0.0 112.635 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -71.92 -17.42 62.1 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -129.17 96.4 28.56 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.45 1.1 . . . . 0.0 111.228 -171.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.21 -16.42 48.58 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.392 2.728 . . . . 0.0 114.712 -167.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtp -60.01 -20.12 56.1 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.988 1.315 . . . . 0.0 113.471 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.88 -57.74 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 123.87 0.868 . . . . 0.0 110.858 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -55.23 -39.79 70.1 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.583 0.628 . . . . 0.0 112.202 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -60.76 -40.05 91.05 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.368 1.467 . . . . 0.0 113.209 174.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.78 63.31 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.48 -0.763 . . . . 0.0 112.191 175.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -55.2 -41.04 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.419 1.008 . . . . 0.0 111.32 174.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 -59.87 -24.03 63.91 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.8 mtm -78.63 -11.74 59.98 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 171.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.01 -4.27 9.74 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.71 1.624 . . . . 0.0 115.823 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -69.68 166.34 19.36 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.094 1.447 . . . . 0.0 113.201 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 m -91.53 142.76 27.3 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.455 1.102 . . . . 0.0 112.173 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -51.05 -46.32 61.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.034 0.934 . . . . 0.0 112.739 172.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -64.27 -12.83 45.14 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -96.41 -35.42 11.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.07 0.85 . . . . 0.0 112.247 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mm -68.36 -50.01 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 119.464 1.029 . . . . 0.0 111.169 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -44.22 75.14 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.794 -0.566 . . . . 0.0 111.369 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -64.46 -54.16 36.88 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.366 1.466 . . . . 0.0 111.444 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 tt -62.44 -35.19 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 118.543 0.611 . . . . 0.0 111.99 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.3 mtt -66.63 -53.99 28.12 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.073 0.852 . . . . 0.0 113.169 173.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.49 -35.37 75.76 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.925 1.239 . . . . 0.0 112.323 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.67 -49.76 67.41 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.276 1.031 . . . . 0.0 111.768 172.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -54.83 -49.63 70.56 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.347 1.459 . . . . 0.0 112.188 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.6 mt -59.66 -45.25 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.74 0.816 . . . . 0.0 110.617 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -63.67 -50.83 67.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.267 1.027 . . . . 0.0 112.787 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.9 mm -72.88 -51.53 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.703 1.601 . . . . 0.0 112.307 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 t -92.23 -40.45 10.96 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.171 1.389 . . . . 0.0 113.556 -170.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.8 -15.76 13.97 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 125.763 1.649 . . . . 0.0 115.427 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.0 m -139.32 147.27 41.36 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.897 1.679 . . . . 0.0 111.009 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -74.2 166.68 23.02 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.235 0.541 . . . . 0.0 111.96 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -65.06 141.52 58.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.625 1.17 . . . . 0.0 112.266 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -121.37 -5.13 9.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.905 1.682 . . . . 0.0 115.238 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 m -136.14 145.52 45.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.752 1.221 . . . . 0.0 110.97 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 mp -55.87 -46.66 78.23 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.468 1.107 . . . . 0.0 111.172 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.55 -55.35 19.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.286 1.435 . . . . 0.0 112.996 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.34 -38.32 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 122.975 0.51 . . . . 0.0 112.146 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -55.67 29.08 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.774 0.829 . . . . 0.0 110.658 177.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.69 -34.99 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.023 0.929 . . . . 0.0 112.875 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.21 82.83 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.571 0.748 . . . . 0.0 111.506 171.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -64.72 -38.57 91.43 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.998 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.8 mt -57.51 -57.03 14.49 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 120.045 1.293 . . . . 0.0 112.411 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 m -63.87 -20.33 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -82.48 -49.47 9.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.176 0.99 . . . . 0.0 112.336 173.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.74 71.81 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.232 1.413 . . . . 0.0 113.698 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -73.31 -12.97 61.02 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 176.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -70.98 162.68 28.97 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.127 0.876 . . . . 0.0 111.078 174.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -135.99 156.67 48.39 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.103 1.361 . . . . 0.0 110.833 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.1 t -71.42 -43.12 67.35 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.003 1.321 . . . . 0.0 111.845 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 96.8 mmm -71.4 153.23 42.45 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.566 1.146 . . . . 0.0 111.568 173.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -130.68 45.82 2.76 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.324 1.45 . . . . 0.0 110.739 177.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -70.26 96.31 1.1 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.543 1.537 . . . . 0.0 111.563 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -125.53 142.64 51.4 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.777 1.631 . . . . 0.0 111.35 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.6 m -142.38 108.94 5.33 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.955 1.702 . . . . 0.0 110.532 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -137.66 156.83 47.61 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.363 1.465 . . . . 0.0 111.748 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -125.35 85.27 2.38 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.81 1.644 . . . . 0.0 110.236 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.8 p -132.59 161.37 34.04 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.353 1.861 . . . . 0.0 111.376 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.4 p -123.14 2.75 9.27 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.877 1.671 . . . . 0.0 113.835 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.18 -22.13 62.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.654 1.582 . . . . 0.0 114.679 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -66.94 156.42 35.92 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.299 1.04 . . . . 0.0 112.417 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.87 167.99 18.02 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.852 1.661 . . . . 0.0 112.496 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -134.77 149.95 50.48 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.366 1.866 . . . . 0.0 110.505 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.6 tt -151.67 144.7 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.864 1.266 . . . . 0.0 111.203 175.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.9 m -145.32 114.02 6.8 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.617 1.567 . . . . 0.0 111.206 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 p -61.1 -24.41 66.23 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.355 1.062 . . . . 0.0 113.459 173.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -57.59 -41.5 81.31 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.644 1.177 . . . . 0.0 112.474 172.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -66.24 -29.16 69.36 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.263 -0.898 . . . . 0.0 112.883 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -70.44 -47.13 62.15 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.63 0.772 . . . . 0.0 110.813 173.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.55 -31.26 72.22 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.609 1.164 . . . . 0.0 113.197 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -46.64 80.37 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.365 1.466 . . . . 0.0 111.79 173.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -70.39 -24.31 62.92 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 175.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -46.45 79.93 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.692 1.197 . . . . 0.0 111.494 177.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -68.09 101.85 1.22 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.387 1.475 . . . . 0.0 112.756 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.58 156.5 36.73 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.857 1.263 . . . . 0.0 113.306 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -78.25 -56.45 4.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.891 1.276 . . . . 0.0 112.259 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -68.16 131.43 45.38 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.91 1.284 . . . . 0.0 111.988 -176.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.592 1.957 . . . . 0.0 112.775 178.168 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -151.14 170.46 19.39 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.037 1.735 . . . . 0.0 110.776 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.54 164.41 18.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.601 1.56 . . . . 0.0 112.69 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 9.4 tpt -76.22 -64.93 0.99 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.563 1.145 . . . . 0.0 111.635 175.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.63 139.08 58.73 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.827 0.822 . . . . 0.0 113.068 -173.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -109.32 -20.01 13.09 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.067 1.747 . . . . 0.0 113.903 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 tp -70.46 -26.19 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.006 1.322 . . . . 0.0 112.997 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.42 -134.18 42.02 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.114 0.864 . . . . 0.0 112.922 -176.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 m 51.18 54.73 10.65 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.451 1.901 . . . . 0.0 113.787 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -52.3 -56.77 12.63 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.267 2.227 . . . . 0.0 113.232 -174.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.2 t80 50.43 24.85 1.69 Allowed 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 127.138 2.175 . . . . 0.0 115.532 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -138.57 -175.7 4.22 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.053 2.141 . . . . 0.0 111.473 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -57.96 166.57 1.45 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.402 1.481 . . . . 0.0 113.235 172.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 45.7 p -59.53 152.15 57.2 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 125.753 1.621 . . . . 0.0 113.389 -176.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -71.67 158.11 54.18 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.566 2.844 . . . . 0.0 111.921 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 m -69.91 167.92 16.37 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.848 1.259 . . . . 0.0 112.219 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.71 14.11 32.92 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.035 1.334 . . . . 0.0 112.847 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -78.55 -54.02 6.59 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.995 1.318 . . . . 0.0 113.662 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -157.13 -54.52 0.08 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -62.37 153.43 31.15 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.268 1.027 . . . . 0.0 110.717 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 pt -135.41 -178.56 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 126.479 1.911 . . . . 0.0 110.012 175.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.73 116.11 4.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.139 0.976 . . . . 0.0 110.03 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -61.55 -22.36 65.1 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.852 -1.155 . . . . 0.0 112.955 -177.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.0 m -55.07 -29.99 58.7 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.55 1.54 . . . . 0.0 113.192 168.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.09 -42.58 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.481 1.112 . . . . 0.0 110.911 173.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -76.56 -41.39 46.67 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.607 0.763 . . . . 0.0 112.46 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -69.64 -20.32 63.6 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.85 95.47 31.82 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.096 1.358 . . . . 0.0 111.501 -168.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.37 -18.77 49.97 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.32 2.68 . . . . 0.0 114.28 -170.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.5 mtp -59.02 -23.22 61.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.391 1.476 . . . . 0.0 112.961 171.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.52 -58.49 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.15 0.98 . . . . 0.0 110.823 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -46.85 -48.33 21.02 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.248 1.419 . . . . 0.0 112.05 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -60.6 -40.59 92.34 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.868 1.667 . . . . 0.0 113.427 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.9 77.66 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.068 -1.02 . . . . 0.0 112.303 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -55.44 -41.77 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 119.46 1.027 . . . . 0.0 111.138 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -56.33 -33.97 66.12 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.3 mtm -67.09 -22.04 65.84 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.73 2.7 5.22 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.304 1.43 . . . . 0.0 116.327 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.48 ' CB ' HD11 ' A' ' 44' ' ' ILE . 69.6 m-85 -72.78 167.89 19.94 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.018 1.409 . . . . 0.0 113.217 173.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.0 m -91.83 139.31 30.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.642 1.577 . . . . 0.0 112.202 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -49.66 -48.99 49.02 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.647 1.179 . . . . 0.0 113.443 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -50.79 -50.55 55.9 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.62 1.568 . . . . 0.0 111.936 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -62.2 -43.28 99.18 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.327 0.651 . . . . 0.0 112.38 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.48 HD11 ' CB ' ' A' ' 39' ' ' PHE . 6.3 mm -64.56 -51.88 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.471 0.578 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -34.48 77.73 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.836 -0.54 . . . . 0.0 111.813 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -65.54 -50.93 63.38 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.109 1.363 . . . . 0.0 111.012 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 tt -64.79 -36.93 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 118.951 -0.547 . . . . 0.0 112.07 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmt -58.85 -56.84 17.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.116 0.967 . . . . 0.0 112.409 172.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.47 -40.39 94.35 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.786 0.721 . . . . 0.0 112.442 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -45.76 83.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.243 0.929 . . . . 0.0 113.039 172.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -55.19 -52.31 63.74 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.909 1.231 . . . . 0.0 111.331 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.0 mt -62.55 -44.83 99.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 123.653 0.781 . . . . 0.0 110.856 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -62.61 -43.99 97.43 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.2 mm -81.26 -51.92 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.136 1.374 . . . . 0.0 111.654 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -86.16 -25.73 25.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.755 1.222 . . . . 0.0 114.136 -172.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.85 -5.45 69.23 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.392 1.472 . . . . 0.0 115.682 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -145.71 166.57 25.46 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.329 1.452 . . . . 0.0 112.682 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -77.37 166.96 22.46 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.444 1.098 . . . . 0.0 113.044 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -56.24 141.08 42.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.768 1.627 . . . . 0.0 113.365 172.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -69.14 -55.43 10.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.754 1.221 . . . . 0.0 112.532 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.2 m -148.41 169.96 19.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.869 2.068 . . . . 0.0 110.646 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.36 -34.87 67.06 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.393 0.677 . . . . 0.0 112.209 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -49.64 -50.32 43.64 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.802 1.241 . . . . 0.0 112.772 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.6 t -71.13 -40.94 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.12 0.968 . . . . 0.0 110.801 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -56.57 20.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.766 1.226 . . . . 0.0 111.309 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.9 -32.96 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.755 1.222 . . . . 0.0 112.86 -177.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.3 -53.6 50.26 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.636 0.774 . . . . 0.0 111.645 171.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -60.93 -36.97 80.73 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.756 -0.59 . . . . 0.0 111.901 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -56.86 -61.69 2.26 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.718 1.207 . . . . 0.0 112.56 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.75 -35.01 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.029 0.831 . . . . 0.0 111.965 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -68.42 -43.2 77.71 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.003 0.921 . . . . 0.0 112.802 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.36 83.53 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.081 0.952 . . . . 0.0 112.298 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -80.96 8.01 9.38 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.005 1.722 . . . . 0.0 114.646 176.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -61.56 96.47 0.06 Allowed 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 120.084 1.311 . . . . 0.0 112.247 173.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -154.04 -172.38 4.2 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 127.776 2.43 . . . . 0.0 109.456 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.2 t -59.55 167.9 1.82 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.848 1.259 . . . . 0.0 112.81 167.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -56.15 137.29 51.92 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.687 1.595 . . . . 0.0 112.151 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -146.97 168.06 22.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.6 1.56 . . . . 0.0 110.939 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.76 130.46 46.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.65 1.18 . . . . 0.0 112.719 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -151.05 172.32 15.93 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.044 1.738 . . . . 0.0 112.292 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.2 m -125.58 174.13 8.47 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.039 1.736 . . . . 0.0 111.392 174.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.8 p -154.04 132.17 11.8 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.034 1.334 . . . . 0.0 111.652 170.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -152.56 170.79 19.31 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.883 1.273 . . . . 0.0 111.342 175.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.8 p -61.73 164.89 5.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.098 1.359 . . . . 0.0 112.456 171.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.49 172.93 15.78 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.115 0.966 . . . . 0.0 113.152 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -137.37 -178.62 5.3 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.743 1.617 . . . . 0.0 112.534 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -142.9 168.78 18.9 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.351 1.061 . . . . 0.0 112.022 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.69 169.7 9.6 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.905 2.082 . . . . 0.0 111.741 -178.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -120.45 165.3 15.13 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.273 1.429 . . . . 0.0 111.639 174.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 52.9 mt -134.6 145.95 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.695 1.598 . . . . 0.0 108.355 -178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.5 p -71.28 38.99 0.06 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.911 2.084 . . . . 0.0 114.108 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.3 p -57.37 -23.26 48.02 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.173 1.389 . . . . 0.0 113.435 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -54.22 -27.93 37.69 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.944 1.297 . . . . 0.0 113.866 170.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -75.88 -31.47 59.25 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.425 1.09 . . . . 0.0 112.18 174.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -68.12 -24.79 65.05 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.626 1.171 . . . . 0.0 112.414 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.09 -24.58 66.34 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.295 -0.878 . . . . 0.0 112.952 176.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -60.69 -26.75 67.34 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.79 1.177 . . . . 0.0 113.514 172.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.26 -19.69 63.49 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.626 1.57 . . . . 0.0 112.687 176.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.47 -27.5 69.32 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.369 1.068 . . . . 0.0 113.53 172.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -77.45 100.21 5.92 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.061 0.944 . . . . 0.0 110.994 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -141.1 164.8 29.28 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.33 1.452 . . . . 0.0 112.293 175.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -138.75 172.47 12.82 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.172 1.789 . . . . 0.0 111.321 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -124.52 172.7 8.99 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.161 1.784 . . . . 0.0 112.442 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.253 1.267 0 C-N-CA 126.408 1.883 . . . . 0.0 112.161 173.673 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.403 HG21 ' HB3' ' A' ' 48' ' ' MET . 9.5 m -69.84 -25.26 63.66 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.825 -1.172 . . . . 0.0 112.726 174.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.13 -49.25 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.118 0.967 . . . . 0.0 110.5 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -72.81 -44.35 61.59 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -70.74 -19.37 62.74 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -174.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -131.76 96.21 21.17 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 124.535 1.134 . . . . 0.0 111.926 -171.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.32 -13.96 39.03 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 123.681 2.921 . . . . 0.0 115.192 -166.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.9 mtp -57.64 -24.74 58.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.525 1.13 . . . . 0.0 112.939 171.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.14 -56.36 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 123.834 0.854 . . . . 0.0 111.248 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.24 -37.4 74.84 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -61.59 -38.67 88.43 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.204 1.002 . . . . 0.0 112.731 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.86 -52.89 61.36 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.61 -0.681 . . . . 0.0 112.059 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.57 -41.34 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.503 1.047 . . . . 0.0 111.596 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.72 -26.69 57.61 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.819 1.247 . . . . 0.0 114.227 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.8 mtm -78.33 -10.29 59.61 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.34 -2.39 14.14 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.872 1.701 . . . . 0.0 115.436 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -67.95 163.09 22.91 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.219 1.51 . . . . 0.0 112.755 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 m -88.55 143.18 27.12 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.219 1.408 . . . . 0.0 112.057 176.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -53.47 -46.14 69.84 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.962 0.905 . . . . 0.0 113.098 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -45.67 70.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.638 1.575 . . . . 0.0 112.327 176.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -43.19 99.31 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.48 0.712 . . . . 0.0 111.629 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.75 -49.03 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 118.022 0.374 . . . . 0.0 111.718 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -38.76 77.67 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.102 0.865 . . . . 0.0 111.746 175.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -50.75 66.26 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.275 1.03 . . . . 0.0 111.71 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 tt -66.56 -37.57 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 118.331 0.514 . . . . 0.0 112.018 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.403 ' HB3' HG21 ' A' ' 24' ' ' THR . 14.8 mmt -60.58 -59.03 6.05 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.948 0.899 . . . . 0.0 111.919 173.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.41 -40.34 82.18 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.138 0.881 . . . . 0.0 112.32 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -66.85 -46.76 74.03 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.937 0.895 . . . . 0.0 112.129 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -57.88 -48.69 79.1 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.005 0.922 . . . . 0.0 112.151 175.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.4 mt -63.24 -44.8 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.835 0.854 . . . . 0.0 110.784 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -59.79 -43.07 94.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.416 1.086 . . . . 0.0 113.058 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 mm -84.11 -52.89 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 124.744 1.217 . . . . 0.0 112.259 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.2 t -85.15 -33.44 22.33 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.916 1.286 . . . . 0.0 114.018 -173.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.27 -12.12 28.65 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.864 1.697 . . . . 0.0 115.616 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -150.6 169.46 21.5 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.191 1.495 . . . . 0.0 113.52 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.21 170.38 8.74 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.428 1.491 . . . . 0.0 112.913 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -62.41 149.21 43.12 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.85 1.26 . . . . 0.0 113.146 171.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -72.4 -53.38 12.42 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.659 1.583 . . . . 0.0 113.031 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.44 164.84 32.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.058 1.743 . . . . 0.0 110.979 -175.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.72 -35.29 72.43 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 118.726 -0.654 . . . . 0.0 112.094 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -49.2 -52.2 28.26 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.823 1.249 . . . . 0.0 112.664 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.57 -42.3 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.861 0.864 . . . . 0.0 110.988 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -55.62 32.39 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.036 0.934 . . . . 0.0 111.451 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.3 m -69.67 -34.14 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.596 1.159 . . . . 0.0 113.041 -176.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.91 -49.63 75.42 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.573 0.749 . . . . 0.0 111.409 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.14 -35.31 80.13 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.2 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.73 -57.66 11.77 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.665 1.121 . . . . 0.0 112.445 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.7 m -60.65 -40.16 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 118.725 0.693 . . . . 0.0 111.616 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.41 -51.99 67.53 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.896 0.771 . . . . 0.0 112.255 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.7 91.58 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.937 0.895 . . . . 0.0 113.136 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? . . . . . 0 CA--C 1.546 0.82 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.538 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 m -61.71 -30.88 71.05 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.883 1.273 . . . . 0.0 112.456 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.21 -46.3 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.08 1.352 . . . . 0.0 110.331 174.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -71.7 -45.32 62.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.669 0.788 . . . . 0.0 112.298 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -72.55 -18.51 61.62 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -172.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -132.14 96.8 19.13 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 124.288 1.035 . . . . 0.0 112.021 -172.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.79 -15.29 43.86 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.496 2.797 . . . . 0.0 115.199 -166.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 42.7 mtp -57.5 -23.43 50.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.792 1.237 . . . . 0.0 113.1 172.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -56.51 -54.59 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.34 1.056 . . . . 0.0 111.127 176.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -57.23 -40.57 77.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.406 0.683 . . . . 0.0 112.05 -176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.4 -36.9 85.25 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.149 1.38 . . . . 0.0 113.048 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.43 -52.78 60.04 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.265 -0.897 . . . . 0.0 111.908 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -56.5 -39.68 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.264 0.938 . . . . 0.0 111.59 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -55.81 -32.92 63.96 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.213 1.005 . . . . 0.0 113.66 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.3 mtm -74.19 -10.29 59.46 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.3 -2.99 14.09 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.753 1.644 . . . . 0.0 115.568 176.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -68.86 161.98 27.46 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.028 1.414 . . . . 0.0 112.946 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.1 m -86.97 138.86 31.16 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.425 1.49 . . . . 0.0 112.147 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.61 -47.98 58.04 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.162 0.985 . . . . 0.0 112.956 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -30.64 68.92 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.306 1.043 . . . . 0.0 113.613 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -79.19 -33.64 43.72 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.725 -0.655 . . . . 0.0 112.475 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -69.35 -50.04 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-N 119.343 0.974 . . . . 0.0 111.081 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -41.94 79.48 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 118.713 -0.66 . . . . 0.0 111.588 175.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -60.67 -54.61 43.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.244 1.018 . . . . 0.0 111.935 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.7 tt -64.84 -37.29 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 118.532 0.606 . . . . 0.0 112.24 -177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.9 mtt -67.34 -50.69 58.93 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.244 0.929 . . . . 0.0 112.781 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -59.72 -40.22 87.28 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.756 1.162 . . . . 0.0 111.767 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -66.77 -45.73 77.55 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.557 1.143 . . . . 0.0 112.129 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -54.32 -52.93 59.96 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.168 1.387 . . . . 0.0 111.784 173.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -60.67 -46.68 95.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.879 0.872 . . . . 0.0 110.612 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -60.17 -40.64 90.65 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.042 0.937 . . . . 0.0 112.978 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.4 mm -82.43 -55.74 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.974 1.31 . . . . 0.0 112.047 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 t -77.92 -38.27 45.91 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.749 1.22 . . . . 0.0 113.776 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.26 -12.17 51.67 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 126.081 1.8 . . . . 0.0 114.73 -175.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.5 m -137.9 157.41 46.46 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.178 1.791 . . . . 0.0 111.741 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -85.47 171.67 11.6 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.205 1.002 . . . . 0.0 112.244 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -63.57 156.55 26.22 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.235 1.414 . . . . 0.0 112.964 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -127.74 -17.48 4.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.783 1.633 . . . . 0.0 115.349 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.0 m -140.76 150.17 43.05 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.829 1.651 . . . . 0.0 110.057 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.09 -33.49 75.56 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.737 -0.649 . . . . 0.0 111.993 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -50.49 -55.63 15.17 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.679 1.191 . . . . 0.0 112.77 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.8 m -65.76 -36.42 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -56.26 19.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.435 0.694 . . . . 0.0 110.883 178.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.5 m -70.35 -33.31 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.648 1.179 . . . . 0.0 113.131 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.67 -51.23 68.03 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.494 0.717 . . . . 0.0 111.457 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -33.77 76.66 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.499 -0.762 . . . . 0.0 112.005 177.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.9 mt -56.72 -61.01 2.72 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.835 1.198 . . . . 0.0 112.1 170.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -60.42 -30.66 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 119.454 1.025 . . . . 0.0 112.753 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -72.69 -41.93 64.77 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.737 0.815 . . . . 0.0 112.747 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.37 -27.82 65.65 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.35 1.06 . . . . 0.0 113.156 175.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 . . . . . 0 CA--C 1.546 0.826 0 C-N-CA 125.334 1.454 . . . . 0.0 114.009 173.74 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.7 m -54.27 -35.22 62.31 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.123 1.769 . . . . 0.0 113.02 174.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.0 mt -67.56 -37.18 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.745 1.618 . . . . 0.0 111.617 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -77.59 -48.27 17.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.973 1.309 . . . . 0.0 112.242 -178.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -70.88 -19.53 62.61 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -130.15 96.03 26.33 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 124.439 1.096 . . . . 0.0 111.64 -170.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.55 -17.26 48.42 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.311 2.674 . . . . 0.0 115.028 -166.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.3 mtp -58.19 -22.72 52.86 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.67 1.188 . . . . 0.0 113.624 172.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.0 t -56.84 -56.83 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 123.677 0.791 . . . . 0.0 110.808 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -54.65 -39.64 68.23 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.857 1.263 . . . . 0.0 111.966 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.41 -36.54 84.48 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.764 1.226 . . . . 0.0 113.561 174.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.43 71.66 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.261 -0.9 . . . . 0.0 111.859 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.18 -40.7 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.242 0.928 . . . . 0.0 111.346 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -56.81 -30.75 64.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.27 1.028 . . . . 0.0 113.74 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.7 mtm -76.53 -10.97 59.78 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.11 -4.06 12.67 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.734 1.635 . . . . 0.0 115.619 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -68.42 162.86 24.53 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.273 1.537 . . . . 0.0 112.587 173.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 m -89.2 141.72 28.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.938 1.295 . . . . 0.0 112.16 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -50.12 -48.08 53.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.34 1.056 . . . . 0.0 113.111 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -29.44 70.22 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -75.36 -37.97 60.35 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.839 0.745 . . . . 0.0 111.925 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.79 -49.23 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 119.004 0.82 . . . . 0.0 111.173 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -40.98 76.77 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.681 -0.637 . . . . 0.0 111.657 174.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -48.6 71.71 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.75 1.22 . . . . 0.0 111.917 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 tt -67.86 -33.09 59.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.247 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.2 mtt -68.73 -51.21 43.94 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.475 1.034 . . . . 0.0 113.332 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.21 -37.73 75.39 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.929 1.24 . . . . 0.0 111.956 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -52.86 50.64 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.377 1.071 . . . . 0.0 111.437 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -51.66 -52.18 50.02 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.264 1.426 . . . . 0.0 111.777 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.67 -49.62 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.552 0.741 . . . . 0.0 110.649 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -62.34 -39.01 91.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.208 1.003 . . . . 0.0 113.625 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.7 mm -85.31 -52.4 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.421 1.489 . . . . 0.0 111.872 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 t -87.7 -26.79 22.78 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.558 1.543 . . . . 0.0 114.237 -171.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.12 -6.56 72.5 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.614 1.578 . . . . 0.0 115.638 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.7 p -144.42 148.03 34.11 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.839 1.656 . . . . 0.0 111.673 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -77.76 168.08 20.52 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.231 0.612 . . . . 0.0 111.848 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -65.14 140.84 58.83 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.787 1.235 . . . . 0.0 112.384 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -114.67 -13.22 12.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.099 1.76 . . . . 0.0 114.876 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.1 m -134.63 145.99 49.12 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.513 1.525 . . . . 0.0 110.912 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.55 -39.25 87.26 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.275 0.63 . . . . 0.0 112.028 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.1 -57.0 10.9 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.154 1.382 . . . . 0.0 112.832 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.74 -36.67 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.298 0.639 . . . . 0.0 112.094 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -56.91 16.02 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.308 1.043 . . . . 0.0 110.887 176.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 m -72.22 -33.44 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.153 0.981 . . . . 0.0 112.911 -174.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.25 82.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.686 0.795 . . . . 0.0 111.418 170.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -65.39 -38.1 88.97 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.637 -0.697 . . . . 0.0 112.17 175.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.9 mt -56.75 -54.13 49.78 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.786 1.175 . . . . 0.0 112.405 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.6 m -63.18 -39.31 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 118.776 0.716 . . . . 0.0 112.095 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -62.31 -41.69 98.73 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.831 0.852 . . . . 0.0 112.625 175.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.11 -54.58 23.87 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.731 1.212 . . . . 0.0 112.135 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 . . . . . 0 CA--C 1.547 0.849 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.281 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.1 m -62.6 -25.74 68.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.209 1.004 . . . . 0.0 112.994 172.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.406 HG12 HG11 ' A' ' 31' ' ' VAL . 43.9 mt -61.78 -48.76 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.347 1.059 . . . . 0.0 110.478 171.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -69.33 -44.3 71.97 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.119 0.568 . . . . 0.0 111.844 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -69.89 -22.64 63.21 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -125.29 96.89 38.32 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -171.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -66.98 -21.29 49.95 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.769 2.979 . . . . 0.0 114.137 -171.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 57.0 mtp -57.96 -23.11 52.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.762 1.225 . . . . 0.0 112.739 172.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.467 ' HA ' HG21 ' A' ' 44' ' ' ILE . 77.7 t -59.18 -59.08 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 123.35 0.66 . . . . 0.0 110.018 175.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -54.12 -42.57 69.61 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.626 0.77 . . . . 0.0 112.749 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -59.98 -41.48 92.1 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.555 1.142 . . . . 0.0 112.835 174.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.34 -55.48 33.08 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.887 0.767 . . . . 0.0 111.632 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -53.48 -41.77 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-N 120.269 1.395 . . . . 0.0 111.913 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -58.32 -25.74 62.24 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.552 1.141 . . . . 0.0 114.045 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.6 mtm -76.61 -3.98 40.58 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 171.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.68 9.64 28.32 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.527 1.537 . . . . 0.0 115.001 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' HB3' HD11 ' A' ' 44' ' ' ILE . 55.7 m-85 -76.2 175.72 8.74 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 118.737 1.268 . . . . 0.0 112.873 171.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 m -104.8 135.94 45.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.529 1.932 . . . . 0.0 110.828 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -52.02 -45.43 64.59 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.311 0.96 . . . . 0.0 112.813 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -44.3 68.45 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.276 1.43 . . . . 0.0 112.714 173.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.28 -40.5 86.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.552 0.614 . . . . 0.0 111.454 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.467 HG21 ' HA ' ' A' ' 31' ' ' VAL . 6.2 mm -68.03 -49.63 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 118.348 0.522 . . . . 0.0 111.725 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -41.68 90.38 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.328 -0.858 . . . . 0.0 112.069 175.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -62.56 -49.01 76.98 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.048 1.339 . . . . 0.0 111.812 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.584 HD11 ' HB3' ' A' ' 68' ' ' ASP . 10.5 tt -66.3 -38.5 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.263 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -57.3 12.51 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.167 0.894 . . . . 0.0 111.932 174.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.81 -44.29 81.84 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.667 0.667 . . . . 0.0 111.64 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -64.14 -48.2 76.98 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.062 0.945 . . . . 0.0 112.593 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -52.12 -53.98 36.06 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.702 1.201 . . . . 0.0 111.094 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.9 mt -68.83 -38.83 79.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 123.216 0.606 . . . . 0.0 110.903 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -63.92 -40.58 96.81 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.28 1.032 . . . . 0.0 112.881 176.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.3 mm -83.87 -54.48 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.084 1.354 . . . . 0.0 111.763 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.6 t -75.16 -48.58 22.97 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.872 1.669 . . . . 0.0 113.179 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.23 -10.33 24.52 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 126.161 1.838 . . . . 0.0 115.145 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.4 p -142.69 158.91 43.17 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.682 1.593 . . . . 0.0 112.421 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -71.02 174.04 6.75 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 112.353 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -65.9 152.4 44.56 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.208 1.403 . . . . 0.0 112.715 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -83.41 -55.55 4.25 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.478 1.511 . . . . 0.0 112.416 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.5 m -143.57 166.78 23.88 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.389 1.876 . . . . 0.0 110.834 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.87 -34.88 70.23 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.928 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -48.08 -51.43 24.46 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.564 1.075 . . . . 0.0 112.965 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.41 -40.09 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 122.927 0.491 . . . . 0.0 111.046 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -58.54 7.87 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.86 0.864 . . . . 0.0 111.263 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.3 m -65.72 -37.12 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.949 1.7 . . . . 0.0 112.379 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.13 -52.71 63.74 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.646 0.657 . . . . 0.0 111.232 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.584 ' HB3' HD11 ' A' ' 47' ' ' ILE . 16.6 m-20 -63.41 -36.21 82.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.594 -0.717 . . . . 0.0 111.731 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.34 -58.65 7.55 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.99 1.268 . . . . 0.0 111.952 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.2 m -62.06 -23.77 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 118.805 0.73 . . . . 0.0 112.956 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -87.06 -27.94 22.86 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.268 1.027 . . . . 0.0 113.72 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.84 -42.1 50.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.275 1.43 . . . . 0.0 111.922 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 175.884 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 . . . . . 0 CA--C 1.545 0.767 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.9 m -69.52 -21.85 63.63 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.786 -1.197 . . . . 0.0 112.835 171.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.11 -52.76 57.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.331 1.052 . . . . 0.0 110.199 170.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -69.98 -43.83 70.67 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -70.21 -18.21 63.16 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -131.76 93.34 28.11 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 124.219 1.008 . . . . 0.0 111.913 -170.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.61 -15.43 47.56 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.698 2.932 . . . . 0.0 115.085 -165.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.7 mtp -56.45 -23.73 40.8 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.296 1.438 . . . . 0.0 113.213 171.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.67 -58.08 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 124.633 1.173 . . . . 0.0 111.388 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -56.27 -38.99 71.93 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.781 0.832 . . . . 0.0 112.434 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -64.41 -33.85 76.81 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.75 1.22 . . . . 0.0 113.123 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.65 -51.56 58.57 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.098 -1.001 . . . . 0.0 112.078 173.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.33 -41.03 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.362 0.983 . . . . 0.0 111.34 175.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -55.02 -33.15 62.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.574 1.15 . . . . 0.0 113.855 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.8 mtm -75.37 -10.39 59.42 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.3 -3.52 13.92 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.481 1.515 . . . . 0.0 115.618 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -68.01 167.44 13.86 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.045 1.422 . . . . 0.0 112.13 171.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.3 m -101.31 143.47 31.33 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.74 1.216 . . . . 0.0 112.09 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.37 -46.86 56.26 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.56 1.144 . . . . 0.0 113.08 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -33.93 66.7 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.336 1.455 . . . . 0.0 113.756 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -76.17 -37.5 57.82 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.419 0.688 . . . . 0.0 112.319 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mm -69.31 -48.47 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 119.154 0.888 . . . . 0.0 111.113 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -40.92 84.74 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.692 -0.63 . . . . 0.0 111.83 175.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -53.18 60.51 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.951 1.7 . . . . 0.0 111.545 175.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 tt -67.33 -35.25 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 118.699 -0.667 . . . . 0.0 112.266 -177.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.7 mtt -67.98 -49.67 60.25 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.542 1.065 . . . . 0.0 112.89 174.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.54 -36.69 79.05 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.7 1.137 . . . . 0.0 111.936 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -53.78 39.58 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.044 0.937 . . . . 0.0 111.966 172.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -51.56 -51.86 51.94 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.385 1.474 . . . . 0.0 112.067 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -61.61 -48.31 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.65 0.78 . . . . 0.0 110.495 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -65.14 -35.12 80.09 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.4 mm -80.36 -61.38 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.431 1.492 . . . . 0.0 111.747 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -82.31 -25.96 33.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.197 1.399 . . . . 0.0 114.034 -168.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.02 -6.56 64.15 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.806 1.67 . . . . 0.0 115.284 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.5 p -144.13 162.15 37.02 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.774 1.63 . . . . 0.0 112.228 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -88.29 170.05 11.32 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.781 0.832 . . . . 0.0 111.901 175.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -61.24 150.74 33.68 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.435 1.494 . . . . 0.0 112.94 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -122.2 -17.6 7.11 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.7 m -143.11 150.2 39.15 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.166 1.786 . . . . 0.0 110.552 173.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.76 -38.73 79.12 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.357 0.663 . . . . 0.0 111.537 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -50.05 -48.04 53.13 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.955 1.302 . . . . 0.0 112.757 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.34 -44.7 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.056 0.942 . . . . 0.0 110.884 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -55.2 38.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.746 1.218 . . . . 0.0 111.127 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.53 -34.24 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.347 1.059 . . . . 0.0 112.932 -175.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.21 -49.06 77.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.485 0.714 . . . . 0.0 111.585 172.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -64.32 -39.29 93.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 118.817 -0.611 . . . . 0.0 112.0 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.0 mt -56.27 -55.41 33.63 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.37 1.068 . . . . 0.0 112.248 174.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -60.34 -44.5 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 118.972 0.805 . . . . 0.0 111.417 177.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -61.21 -37.76 84.16 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.002 0.819 . . . . 0.0 113.093 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.64 -43.35 69.39 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.773 1.229 . . . . 0.0 113.197 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 179.804 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 m -58.78 -28.32 65.83 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.828 1.251 . . . . 0.0 113.149 173.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.8 mt -58.22 -45.28 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.144 1.378 . . . . 0.0 111.178 171.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.64 -44.13 57.7 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.93 0.892 . . . . 0.0 112.178 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -71.6 -19.52 62.12 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -171.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -134.21 101.34 12.41 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.34 1.056 . . . . 0.0 112.229 -170.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.82 -15.28 40.39 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.395 2.73 . . . . 0.0 115.332 -167.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.4 mtp -60.09 -21.61 61.71 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.077 0.951 . . . . 0.0 112.825 171.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -60.27 -58.33 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.827 0.851 . . . . 0.0 111.02 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.25 -36.97 71.63 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.031 0.832 . . . . 0.0 112.683 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -62.88 -29.39 70.73 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.306 1.442 . . . . 0.0 113.388 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.27 -53.86 17.62 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.974 -1.079 . . . . 0.0 111.599 170.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -53.75 -40.07 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.117 0.871 . . . . 0.0 112.354 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.89 -23.17 60.72 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 mtm -81.05 -8.94 59.88 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.72 -3.5 17.4 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.709 1.623 . . . . 0.0 115.47 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -67.09 164.47 17.84 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.132 1.466 . . . . 0.0 112.36 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.3 m -99.11 138.66 35.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.827 1.251 . . . . 0.0 112.173 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -47.88 -48.84 31.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.115 1.366 . . . . 0.0 113.388 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -30.47 66.88 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.951 1.3 . . . . 0.0 114.056 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -77.95 -37.02 48.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.065 0.848 . . . . 0.0 111.574 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.98 -48.49 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 118.925 0.784 . . . . 0.0 111.144 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -42.76 85.45 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 118.859 0.754 . . . . 0.0 111.775 173.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -63.64 -40.55 97.15 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.201 1.401 . . . . 0.0 113.26 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.7 tt -76.32 -37.62 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.425 1.011 . . . . 0.0 112.171 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.6 mmt -58.12 -57.93 10.7 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.787 1.235 . . . . 0.0 111.965 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.28 -43.57 78.93 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.456 0.702 . . . . 0.0 111.828 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.34 -45.27 76.87 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.05 0.94 . . . . 0.0 112.217 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -55.33 -52.0 64.9 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.395 1.078 . . . . 0.0 111.301 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.06 -45.19 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.197 0.999 . . . . 0.0 110.887 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -61.17 -50.91 71.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.754 1.221 . . . . 0.0 113.056 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.8 mm -76.02 -53.86 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.306 1.443 . . . . 0.0 111.97 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.0 t -80.87 -34.61 33.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.426 1.09 . . . . 0.0 113.532 -174.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.04 -9.0 50.37 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.897 1.713 . . . . 0.0 114.986 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -141.35 161.98 36.59 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.418 1.487 . . . . 0.0 112.711 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -74.86 171.26 14.33 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.175 1.39 . . . . 0.0 111.933 175.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -64.21 149.34 48.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.875 1.67 . . . . 0.0 113.219 173.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -77.96 -58.76 3.09 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.583 1.553 . . . . 0.0 112.121 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 m -148.1 169.27 20.36 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 127.722 2.409 . . . . 0.0 110.194 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.9 -34.2 69.57 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.453 0.701 . . . . 0.0 112.667 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -50.69 -49.77 56.55 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.671 1.189 . . . . 0.0 112.779 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -69.27 -42.67 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.013 0.925 . . . . 0.0 110.727 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -55.58 33.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.111 1.365 . . . . 0.0 111.68 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.3 m -69.85 -33.14 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.064 0.946 . . . . 0.0 112.923 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.05 73.17 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.637 0.775 . . . . 0.0 111.456 172.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.66 -39.34 93.61 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.78 -0.629 . . . . 0.0 112.411 174.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.68 -59.27 5.09 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.284 0.947 . . . . 0.0 112.204 174.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.4 m -62.0 -34.46 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-N 118.81 0.732 . . . . 0.0 112.288 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -64.51 -44.82 89.73 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.144 0.978 . . . . 0.0 112.577 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.93 -32.64 69.6 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.815 1.246 . . . . 0.0 113.482 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 123.967 0.907 . . . . 0.0 112.828 173.47 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 m -61.27 -28.06 68.91 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.638 1.175 . . . . 0.0 112.881 174.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.6 mt -57.01 -46.38 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.515 1.126 . . . . 0.0 110.628 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.25 -41.69 60.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.324 0.65 . . . . 0.0 112.215 179.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -70.66 -21.93 62.55 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.78 97.15 27.84 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.315 1.046 . . . . 0.0 112.089 -168.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.34 -18.05 49.78 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.369 2.713 . . . . 0.0 114.427 -170.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.8 mtp -56.79 -24.91 53.87 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.238 1.415 . . . . 0.0 113.093 171.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.54 -58.61 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.398 1.079 . . . . 0.0 111.002 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -51.87 -44.11 63.57 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 112.021 -178.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -62.21 -37.41 85.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.131 1.373 . . . . 0.0 113.335 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.66 46.91 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.119 0.872 . . . . 0.0 112.08 174.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.41 -39.6 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.583 1.083 . . . . 0.0 111.516 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.7 ttm-85 -59.4 -22.36 61.31 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.7 mtm -81.29 -8.9 59.82 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 171.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.25 -1.41 18.96 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.725 1.631 . . . . 0.0 115.53 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -68.38 166.72 16.07 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.076 1.438 . . . . 0.0 112.786 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -94.44 139.75 30.72 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.282 1.433 . . . . 0.0 112.143 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.35 -46.71 62.78 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.403 1.081 . . . . 0.0 112.957 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -51.81 -48.23 63.94 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.085 1.754 . . . . 0.0 112.469 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.42 -36.65 83.36 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.248 0.619 . . . . 0.0 112.485 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -68.51 -51.48 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 119.17 0.895 . . . . 0.0 111.496 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -39.19 79.78 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.025 0.829 . . . . 0.0 111.92 176.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -62.42 -51.19 68.52 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.378 1.071 . . . . 0.0 111.813 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -66.08 -37.67 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 118.767 -0.635 . . . . 0.0 112.298 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 mtt -65.33 -51.67 59.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.277 0.944 . . . . 0.0 112.689 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.74 -40.04 93.71 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.987 0.812 . . . . 0.0 111.944 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.62 -49.41 71.19 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.869 0.759 . . . . 0.0 112.13 174.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -53.39 -54.14 41.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.753 1.221 . . . . 0.0 111.416 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.44 -42.05 94.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.695 0.798 . . . . 0.0 111.161 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -62.23 -45.9 91.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.239 1.016 . . . . 0.0 113.178 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.0 mm -80.47 -51.53 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.016 1.326 . . . . 0.0 112.026 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.0 t -86.07 -32.08 21.58 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.393 1.477 . . . . 0.0 113.894 -173.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.6 -12.27 59.63 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.706 1.622 . . . . 0.0 115.273 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -137.89 163.37 31.64 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.96 1.704 . . . . 0.0 111.974 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -73.42 169.4 17.25 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.524 1.129 . . . . 0.0 112.563 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -59.0 148.4 30.92 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.78 1.232 . . . . 0.0 112.999 165.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -75.83 -59.44 2.75 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.058 1.743 . . . . 0.0 111.976 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 m -145.74 167.56 22.85 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.04 2.136 . . . . 0.0 110.556 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.85 -37.65 69.04 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.969 0.907 . . . . 0.0 112.242 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.56 -33.89 56.33 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.6 t -82.34 -44.63 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.539 0.736 . . . . 0.0 110.241 174.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.45 -55.18 31.47 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.775 1.23 . . . . 0.0 111.458 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.2 m -69.72 -34.61 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.804 1.242 . . . . 0.0 113.044 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.58 73.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.767 0.827 . . . . 0.0 111.312 172.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.32 -36.96 85.62 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.67 -0.681 . . . . 0.0 112.144 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.9 mt -56.75 -56.27 23.63 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.765 1.166 . . . . 0.0 112.211 172.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.78 -40.64 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 118.807 0.731 . . . . 0.0 111.668 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -64.33 -38.62 91.67 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.075 0.852 . . . . 0.0 113.291 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.83 -39.55 61.57 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.876 1.27 . . . . 0.0 113.292 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.5 m -58.98 -29.94 67.58 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.796 1.639 . . . . 0.0 113.264 171.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.98 -47.54 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.662 1.185 . . . . 0.0 110.569 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -71.59 -42.55 67.6 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.566 0.746 . . . . 0.0 112.602 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -70.31 -20.42 63.02 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -175.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -131.49 97.36 19.52 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.214 1.005 . . . . 0.0 112.707 -170.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.39 -15.96 42.76 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.702 2.934 . . . . 0.0 115.229 -167.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.6 mtp -57.69 -25.34 60.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.586 1.154 . . . . 0.0 112.597 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 81.5 t -57.91 -54.91 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.195 0.998 . . . . 0.0 111.042 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -56.47 -42.34 78.08 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.414 0.686 . . . . 0.0 112.271 -175.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -62.18 -36.11 80.87 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.601 1.16 . . . . 0.0 113.401 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.99 -54.75 37.25 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.132 0.878 . . . . 0.0 111.399 173.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -54.66 -39.65 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.028 -1.045 . . . . 0.0 111.7 174.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -59.36 -24.49 63.44 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.9 mtm -80.47 -8.9 59.73 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 172.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.67 -1.89 20.03 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.709 1.623 . . . . 0.0 115.477 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -67.38 163.77 20.04 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.184 1.492 . . . . 0.0 112.351 171.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.2 m -92.97 141.25 28.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.007 1.323 . . . . 0.0 112.031 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -49.66 -46.42 49.7 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.819 1.247 . . . . 0.0 112.842 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -54.96 -45.2 74.88 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.925 1.29 . . . . 0.0 112.726 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -65.5 -38.36 89.51 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.993 -0.527 . . . . 0.0 112.169 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mm -68.81 -51.79 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 118.851 0.751 . . . . 0.0 111.589 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -40.58 83.13 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.889 0.768 . . . . 0.0 112.156 177.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -51.81 67.39 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.84 1.656 . . . . 0.0 112.273 174.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 tt -68.42 -35.35 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 119.276 0.944 . . . . 0.0 112.606 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -57.68 11.33 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.055 0.942 . . . . 0.0 111.539 173.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.46 -40.73 83.46 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.641 0.655 . . . . 0.0 112.044 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -66.59 -46.26 76.54 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.781 0.719 . . . . 0.0 112.776 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -55.6 -49.27 73.23 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.394 0.997 . . . . 0.0 111.572 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.97 -44.26 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 123.772 0.829 . . . . 0.0 110.906 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -62.8 -45.28 93.39 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.493 1.117 . . . . 0.0 112.977 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.2 mm -79.68 -55.08 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.32 1.448 . . . . 0.0 111.787 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -79.46 -43.36 23.4 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.273 1.029 . . . . 0.0 113.109 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.61 -10.2 19.15 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.92 1.724 . . . . 0.0 115.032 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -145.49 167.21 23.54 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.422 1.489 . . . . 0.0 112.919 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -82.75 169.68 15.9 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.796 1.238 . . . . 0.0 112.073 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -59.47 149.96 28.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.755 2.422 . . . . 0.0 113.793 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.468 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -81.67 -53.23 6.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.485 1.514 . . . . 0.0 112.728 179.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -145.9 166.01 27.24 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.272 1.829 . . . . 0.0 110.774 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.24 -35.19 69.4 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.354 0.662 . . . . 0.0 112.07 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -50.19 -50.03 50.69 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.77 1.228 . . . . 0.0 112.623 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.0 t -69.88 -42.5 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.923 0.889 . . . . 0.0 110.789 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.08 -55.5 34.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.701 1.2 . . . . 0.0 111.698 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.59 -34.03 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.767 1.227 . . . . 0.0 112.903 -176.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.38 -51.7 66.54 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.592 0.757 . . . . 0.0 111.239 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -65.4 -33.15 75.28 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 118.67 -0.681 . . . . 0.0 112.179 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -58.05 -60.97 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.648 1.179 . . . . 0.0 112.393 170.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.58 -37.64 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.229 0.922 . . . . 0.0 111.849 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -59.19 -50.12 75.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.524 1.13 . . . . 0.0 112.222 173.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.85 95.99 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.299 1.04 . . . . 0.0 112.381 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.906 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 CA--C 1.54 0.577 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 m -63.86 -26.49 68.64 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -174.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.41 -43.89 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.428 1.091 . . . . 0.0 111.181 170.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -85.63 -40.44 16.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.02 0.928 . . . . 0.0 112.61 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -68.94 -23.2 64.13 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -131.91 106.83 13.9 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.177 0.991 . . . . 0.0 112.467 -176.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.59 -13.56 35.28 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.448 2.765 . . . . 0.0 115.035 -169.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.2 mtp -58.7 -25.65 63.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.363 1.065 . . . . 0.0 112.535 172.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.0 t -59.71 -56.31 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.55 1.14 . . . . 0.0 111.082 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -50.38 -45.43 55.32 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.679 1.192 . . . . 0.0 112.324 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -62.82 -35.34 79.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.942 1.297 . . . . 0.0 113.722 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.09 -50.63 67.58 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.194 -0.941 . . . . 0.0 111.478 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -56.82 -38.89 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 121.276 -0.89 . . . . 0.0 111.364 172.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -59.88 -22.38 62.26 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.7 mtm -82.05 -10.47 59.21 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 171.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.64 -1.79 15.61 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.634 1.587 . . . . 0.0 115.845 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -68.13 164.6 19.98 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.289 1.545 . . . . 0.0 112.988 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.3 m -89.41 139.17 30.79 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.665 1.186 . . . . 0.0 112.103 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -49.62 -45.37 48.16 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.3 1.04 . . . . 0.0 112.964 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -55.84 -35.25 66.21 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.398 1.879 . . . . 0.0 113.559 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -74.47 -43.83 54.32 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.927 0.785 . . . . 0.0 111.987 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.5 -47.47 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 118.288 0.495 . . . . 0.0 111.013 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.85 85.71 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.492 0.587 . . . . 0.0 112.374 174.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -46.98 79.77 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.638 1.175 . . . . 0.0 112.082 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 tt -70.35 -36.57 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 118.851 0.75 . . . . 0.0 112.149 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.5 mmt -58.26 -59.79 4.77 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.01 1.324 . . . . 0.0 111.989 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.32 -41.62 89.51 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.4 0.545 . . . . 0.0 111.915 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -69.48 -43.02 74.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.066 0.947 . . . . 0.0 111.889 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -53.47 -57.28 11.22 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.684 1.194 . . . . 0.0 110.768 170.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.52 -43.4 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.759 0.823 . . . . 0.0 111.375 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.81 -48.77 80.36 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.959 1.304 . . . . 0.0 112.999 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.6 mm -77.56 -55.36 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.379 1.071 . . . . 0.0 112.24 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 t -78.9 -25.72 43.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.802 1.641 . . . . 0.0 113.913 -171.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.36 -5.71 84.42 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.352 1.453 . . . . 0.0 114.895 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -149.63 157.88 43.65 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.224 1.41 . . . . 0.0 112.37 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -67.89 172.66 5.2 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.404 1.882 . . . . 0.0 112.372 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -63.58 143.11 58.09 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.594 1.557 . . . . 0.0 112.786 173.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -67.7 -55.69 12.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.885 1.674 . . . . 0.0 112.936 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.7 m -146.29 166.07 27.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.826 1.65 . . . . 0.0 111.302 -173.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.7 mt -53.68 -41.41 66.87 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.539 1.136 . . . . 0.0 111.974 177.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -50.22 -52.39 36.25 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.702 1.601 . . . . 0.0 112.741 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.22 -44.18 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.943 0.897 . . . . 0.0 110.579 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -55.44 34.26 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.713 1.205 . . . . 0.0 111.618 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.97 -33.64 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.189 0.996 . . . . 0.0 113.078 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.85 73.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.205 0.602 . . . . 0.0 111.367 171.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.32 -35.0 79.43 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.875 -0.583 . . . . 0.0 112.46 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -58.21 -61.05 2.85 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.323 0.965 . . . . 0.0 112.017 171.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.1 m -59.56 -34.23 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 119.233 0.924 . . . . 0.0 112.324 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -62.82 -53.76 49.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.056 1.342 . . . . 0.0 112.488 173.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.02 -29.62 69.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.231 1.012 . . . . 0.0 113.161 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 . . . . . 0 CA--C 1.549 0.915 0 C-N-CA 125.39 1.476 . . . . 0.0 114.382 178.845 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 . . . . . 0 N--CA 1.472 0.655 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -54.98 -27.66 45.65 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.382 1.873 . . . . 0.0 113.667 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.6 mt -55.7 -45.54 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.489 1.116 . . . . 0.0 110.795 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.0 -41.95 16.73 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.002 1.321 . . . . 0.0 111.703 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -67.81 -25.08 65.4 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.161 0.984 . . . . 0.0 113.574 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -132.68 104.27 13.15 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.538 1.135 . . . . 0.0 112.148 -175.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -68.53 -13.19 36.78 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.521 2.814 . . . . 0.0 114.784 -169.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.3 mtp -59.38 -24.26 63.28 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.279 1.032 . . . . 0.0 112.527 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.43 -58.52 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.269 0.628 . . . . 0.0 111.242 173.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -50.85 -45.04 59.63 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.307 1.043 . . . . 0.0 112.276 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -62.37 -35.94 80.72 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.973 1.309 . . . . 0.0 113.634 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.28 -54.23 32.21 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.24 -0.912 . . . . 0.0 111.808 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -54.21 -39.65 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.684 1.129 . . . . 0.0 111.689 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -55.66 -29.96 60.18 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.3 mtm -76.54 -8.12 56.56 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.57 -0.9 21.91 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.788 1.661 . . . . 0.0 115.163 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -67.76 165.36 17.51 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 118.934 1.367 . . . . 0.0 112.704 172.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 m -95.42 138.8 32.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.46 1.504 . . . . 0.0 111.813 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -50.91 -48.14 60.63 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.045 0.938 . . . . 0.0 113.283 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -52.84 -43.81 66.28 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.34 1.856 . . . . 0.0 112.852 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -43.8 86.66 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.964 0.906 . . . . 0.0 111.214 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.09 -50.64 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.13 0.423 . . . . 0.0 111.379 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -38.93 84.91 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.593 -0.692 . . . . 0.0 112.196 176.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -49.41 76.08 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.099 0.96 . . . . 0.0 112.203 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -68.02 -37.67 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 118.736 0.698 . . . . 0.0 112.078 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -55.81 27.6 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.573 1.149 . . . . 0.0 112.065 174.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.07 -40.57 89.96 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.684 0.675 . . . . 0.0 112.141 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -66.4 -48.56 69.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.569 0.748 . . . . 0.0 112.634 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -53.63 -51.83 61.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.438 1.095 . . . . 0.0 111.359 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.9 mt -62.72 -45.75 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.481 0.713 . . . . 0.0 111.224 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -61.36 -46.35 90.61 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.104 0.866 . . . . 0.0 112.778 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -76.45 -51.53 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.696 1.198 . . . . 0.0 112.078 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 t -85.06 -33.86 22.39 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.168 1.387 . . . . 0.0 113.917 -171.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.12 -18.49 36.3 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 126.356 1.932 . . . . 0.0 115.209 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.3 m -140.25 165.53 27.14 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.029 1.732 . . . . 0.0 112.111 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -74.66 170.48 15.72 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.559 1.144 . . . . 0.0 112.453 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -59.31 147.12 37.1 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.213 1.805 . . . . 0.0 113.274 175.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -76.8 -50.15 14.18 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.658 1.583 . . . . 0.0 113.271 -175.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.8 m -153.09 167.55 28.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.445 2.298 . . . . 0.0 110.246 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.48 -34.16 70.57 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 118.323 -0.846 . . . . 0.0 112.434 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -51.57 -51.67 53.55 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.788 1.176 . . . . 0.0 112.739 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.64 -42.69 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.443 0.697 . . . . 0.0 110.478 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -56.2 25.0 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.625 1.17 . . . . 0.0 111.424 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -70.18 -33.94 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.846 1.258 . . . . 0.0 113.09 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.37 67.96 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.453 0.701 . . . . 0.0 111.305 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.96 -35.06 79.45 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 118.832 -0.604 . . . . 0.0 112.296 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 mt -57.36 -61.67 2.31 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.513 1.052 . . . . 0.0 112.252 172.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 m -60.74 -33.63 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.367 0.985 . . . . 0.0 112.16 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -63.42 -47.84 80.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.306 1.043 . . . . 0.0 112.777 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.2 66.14 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.637 1.175 . . . . 0.0 113.469 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 . . . . . 0 N--CA 1.469 0.497 0 C-N-CA 124.364 1.066 . . . . 0.0 112.663 173.094 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.4 m -56.09 -27.93 55.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.292 1.437 . . . . 0.0 112.933 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -56.5 -49.49 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.249 1.42 . . . . 0.0 111.098 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -74.95 -42.29 57.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.856 0.862 . . . . 0.0 112.353 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -68.45 -22.08 64.6 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -174.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -131.83 101.72 15.27 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.591 1.156 . . . . 0.0 112.197 -172.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.48 -15.5 41.82 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.596 2.864 . . . . 0.0 115.188 -167.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.1 mtp -58.95 -25.31 63.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.841 0.857 . . . . 0.0 112.832 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.22 -56.64 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.43 0.692 . . . . 0.0 110.461 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -51.79 -45.32 63.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.912 0.885 . . . . 0.0 112.416 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -60.97 -35.9 77.98 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.929 1.291 . . . . 0.0 113.417 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.58 56.46 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.344 -0.848 . . . . 0.0 112.219 174.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.44 -38.14 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.237 0.926 . . . . 0.0 111.314 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -59.43 -23.85 63.02 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.0 mtm -81.79 -9.22 59.68 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 172.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.08 -2.55 14.49 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.711 1.625 . . . . 0.0 115.739 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -68.11 162.12 25.4 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.292 1.546 . . . . 0.0 112.9 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.4 m -87.85 141.52 28.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.906 1.282 . . . . 0.0 111.986 175.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -51.03 -45.01 61.13 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.146 0.978 . . . . 0.0 112.993 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -42.85 69.63 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.165 1.786 . . . . 0.0 113.038 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.56 -41.49 92.89 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.461 0.573 . . . . 0.0 111.553 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mm -70.1 -49.22 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 118.529 0.604 . . . . 0.0 111.746 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -43.42 85.0 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.89 0.768 . . . . 0.0 111.602 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -58.99 -53.89 53.26 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.354 1.462 . . . . 0.0 111.829 175.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 tt -67.24 -34.93 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 118.784 0.72 . . . . 0.0 112.657 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.4 mmt -61.11 -58.08 9.87 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.95 0.9 . . . . 0.0 111.836 172.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.04 -38.53 86.48 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.866 0.757 . . . . 0.0 112.38 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.19 -50.74 69.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.284 1.033 . . . . 0.0 111.769 174.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -54.38 -50.45 67.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.796 1.238 . . . . 0.0 111.849 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.91 -49.45 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.653 0.781 . . . . 0.0 110.895 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -64.0 -43.13 96.63 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.568 1.147 . . . . 0.0 113.421 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.0 mm -77.4 -53.2 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.324 1.45 . . . . 0.0 111.946 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -89.59 -35.02 16.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.183 1.393 . . . . 0.0 114.086 -169.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.49 -17.59 25.83 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 126.021 1.772 . . . . 0.0 115.135 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.1 p -144.14 156.51 44.36 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.897 1.679 . . . . 0.0 111.69 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -82.12 170.39 15.55 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.73 0.812 . . . . 0.0 113.151 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -63.86 143.64 57.69 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.524 1.129 . . . . 0.0 112.279 175.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -113.17 -15.65 12.72 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.0 p -136.82 152.53 50.38 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.949 1.3 . . . . 0.0 110.911 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.36 -31.43 72.21 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.743 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -53.06 -55.88 20.38 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.257 1.023 . . . . 0.0 112.624 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.5 -37.81 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.981 -0.449 . . . . 0.0 112.088 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -56.33 22.98 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.876 0.87 . . . . 0.0 111.097 178.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.0 m -70.27 -33.58 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.288 1.035 . . . . 0.0 112.753 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.84 75.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.507 0.723 . . . . 0.0 111.666 171.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -65.4 -37.76 87.94 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.692 -0.63 . . . . 0.0 112.091 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.0 mt -56.91 -56.97 14.8 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.243 1.017 . . . . 0.0 112.324 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.5 -41.42 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.909 0.777 . . . . 0.0 111.349 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -61.41 -45.17 95.46 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.091 0.86 . . . . 0.0 112.703 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.91 -33.18 71.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 176.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 CA--C 1.546 0.821 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.1 m -66.32 -26.59 67.37 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.825 -1.172 . . . . 0.0 112.71 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.3 mt -58.85 -45.03 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.885 1.274 . . . . 0.0 110.986 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.85 -32.37 59.73 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.983 0.913 . . . . 0.0 112.865 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -84.41 -18.46 35.95 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -174.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -130.57 101.67 17.12 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 124.33 1.052 . . . . 0.0 112.253 -167.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.52 -17.01 43.56 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.247 2.631 . . . . 0.0 114.635 -169.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.2 mtp -59.56 -23.74 63.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.447 1.099 . . . . 0.0 112.952 171.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.04 -61.58 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.844 0.858 . . . . 0.0 110.336 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -53.86 -40.95 66.96 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.489 1.116 . . . . 0.0 112.467 -176.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -61.18 -33.3 73.22 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.845 1.258 . . . . 0.0 113.605 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.18 -52.34 35.53 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.131 0.878 . . . . 0.0 111.832 174.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -53.91 -39.61 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 119.225 0.92 . . . . 0.0 111.468 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -58.87 -21.29 56.82 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.9 mtm -83.45 -9.78 58.79 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 171.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.53 -2.72 13.81 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.776 1.655 . . . . 0.0 115.565 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -68.28 168.22 12.85 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.142 1.471 . . . . 0.0 113.006 173.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 m -99.86 134.03 43.36 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.693 1.597 . . . . 0.0 111.828 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -46.39 -48.59 18.59 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.097 1.359 . . . . 0.0 113.228 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -29.62 63.02 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.126 1.771 . . . . 0.0 114.598 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -85.0 -36.62 21.18 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.049 0.84 . . . . 0.0 111.502 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.7 -50.35 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 118.526 0.603 . . . . 0.0 110.683 175.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -35.42 78.36 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.516 -0.74 . . . . 0.0 112.464 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -50.14 69.1 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.188 0.995 . . . . 0.0 111.656 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -67.55 -35.84 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.452 0.569 . . . . 0.0 112.024 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.7 mmt -59.67 -57.89 10.98 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.672 1.189 . . . . 0.0 112.321 172.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.62 -40.49 92.11 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.851 0.75 . . . . 0.0 111.964 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.07 -45.57 80.83 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.689 0.796 . . . . 0.0 112.072 177.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -53.52 -57.42 10.77 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.847 1.259 . . . . 0.0 110.948 172.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.38 -44.19 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.603 0.761 . . . . 0.0 111.153 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.72 -46.73 89.29 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.835 1.254 . . . . 0.0 113.226 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -81.36 -52.53 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.64 1.176 . . . . 0.0 112.184 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.1 t -81.55 -27.45 34.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.933 1.693 . . . . 0.0 113.897 -173.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.52 -6.97 77.89 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.658 1.599 . . . . 0.0 115.207 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.5 m -147.65 162.02 39.98 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.001 1.72 . . . . 0.0 112.242 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -64.94 178.23 0.85 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 126.465 1.906 . . . . 0.0 112.997 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.31 150.78 45.99 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.639 1.175 . . . . 0.0 112.554 170.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -75.48 -56.31 4.83 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.841 1.656 . . . . 0.0 112.408 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.3 m -144.97 166.46 25.24 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.846 2.058 . . . . 0.0 110.523 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.12 -34.55 70.34 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.264 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -52.53 -50.57 62.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.173 0.989 . . . . 0.0 112.67 177.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.9 -45.15 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.966 0.907 . . . . 0.0 110.46 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.0 -56.63 18.37 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.082 1.353 . . . . 0.0 111.468 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.72 -34.52 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.299 1.04 . . . . 0.0 112.9 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.35 -49.22 77.81 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.66 0.664 . . . . 0.0 111.362 171.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.55 -34.43 78.24 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.464 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 mt -59.67 -58.08 10.12 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.823 1.192 . . . . 0.0 112.351 171.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.3 m -62.89 -26.79 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.739 0.7 . . . . 0.0 112.704 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -68.99 -58.1 4.57 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.438 1.095 . . . . 0.0 111.482 169.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.35 -35.18 71.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.179 1.392 . . . . 0.0 113.767 -176.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 175.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 m -62.09 -26.16 68.12 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.221 1.408 . . . . 0.0 113.342 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.4 mt -59.76 -43.44 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.622 1.169 . . . . 0.0 111.001 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -43.77 59.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.536 0.734 . . . . 0.0 112.362 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -71.36 -19.03 62.34 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.46 92.07 32.84 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.838 1.255 . . . . 0.0 111.023 -167.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.3 -16.75 48.94 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.101 2.534 . . . . 0.0 114.621 -168.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.8 mtp -54.83 -26.89 38.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.084 1.353 . . . . 0.0 113.274 169.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.83 -54.45 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 123.826 0.851 . . . . 0.0 111.241 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -56.2 -41.67 75.93 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.544 0.738 . . . . 0.0 112.33 -176.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -63.21 -34.94 78.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.938 1.295 . . . . 0.0 113.088 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -51.17 62.37 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.289 -0.882 . . . . 0.0 111.917 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -55.43 -41.93 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.231 0.923 . . . . 0.0 111.369 173.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -56.24 -29.47 61.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.625 1.17 . . . . 0.0 114.011 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.5 mtm -76.42 -12.67 60.09 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.17 -5.32 9.52 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.454 1.502 . . . . 0.0 115.837 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -66.52 156.22 35.48 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.254 1.527 . . . . 0.0 111.978 171.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.0 m -82.17 149.22 28.05 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.118 -0.989 . . . . 0.0 111.871 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.86 -49.18 59.64 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.699 1.199 . . . . 0.0 112.973 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.61 -44.75 37.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.642 1.977 . . . . 0.0 112.789 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.89 -42.91 97.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.758 0.823 . . . . 0.0 110.781 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mm -70.35 -53.32 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 123.226 0.61 . . . . 0.0 110.901 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -38.22 72.36 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.93 176.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -62.21 -52.37 64.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.735 1.214 . . . . 0.0 111.977 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 tt -66.47 -32.65 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 118.921 0.782 . . . . 0.0 112.132 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mtt -66.61 -51.49 55.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.965 0.802 . . . . 0.0 113.133 174.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.87 -38.79 83.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.357 0.98 . . . . 0.0 111.775 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.78 -49.74 67.25 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.425 -0.797 . . . . 0.0 113.116 171.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -55.02 -48.19 73.7 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.286 0.948 . . . . 0.0 111.548 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.91 -48.55 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.965 0.906 . . . . 0.0 111.011 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -64.7 -50.53 66.58 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.057 0.943 . . . . 0.0 113.402 -177.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.3 mm -74.94 -53.83 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.931 1.692 . . . . 0.0 111.679 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 t -88.14 -20.43 25.65 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.5 1.12 . . . . 0.0 113.916 -171.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.61 -12.67 68.46 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 125.884 1.707 . . . . 0.0 115.348 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.6 p -149.88 154.96 39.2 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.867 1.667 . . . . 0.0 111.837 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -78.58 168.05 20.34 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.338 1.055 . . . . 0.0 112.677 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -61.06 155.2 20.86 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.394 1.477 . . . . 0.0 112.988 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -126.95 -4.97 6.28 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.482 1.513 . . . . 0.0 114.778 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.6 t -143.72 149.09 36.65 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.748 1.619 . . . . 0.0 110.151 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.6 -30.9 70.98 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 118.944 -0.55 . . . . 0.0 111.564 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -55.62 -55.48 31.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.525 1.13 . . . . 0.0 112.396 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.63 -37.63 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.273 0.629 . . . . 0.0 111.801 175.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -56.29 24.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.306 1.042 . . . . 0.0 111.447 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.78 -33.02 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.308 1.043 . . . . 0.0 112.815 -175.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.63 70.93 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.838 0.855 . . . . 0.0 111.517 171.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.14 -36.21 83.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 118.713 -0.66 . . . . 0.0 112.299 176.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.0 mt -56.47 -60.59 3.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.288 1.035 . . . . 0.0 111.764 173.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -58.51 -39.2 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 119.34 0.973 . . . . 0.0 111.912 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.91 -49.12 78.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.222 1.009 . . . . 0.0 112.743 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.3 -27.77 66.59 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.564 1.146 . . . . 0.0 113.388 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 124.701 1.2 . . . . 0.0 113.42 173.218 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.8 m -63.72 -24.93 67.97 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.023 -1.048 . . . . 0.0 113.026 170.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.85 -49.6 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.244 1.017 . . . . 0.0 110.236 170.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -70.06 -44.36 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.064 0.946 . . . . 0.0 112.635 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -71.92 -17.42 62.1 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -129.17 96.4 28.56 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.45 1.1 . . . . 0.0 111.228 -171.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.21 -16.42 48.58 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.392 2.728 . . . . 0.0 114.712 -167.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtp -60.01 -20.12 56.1 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.988 1.315 . . . . 0.0 113.471 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.88 -57.74 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 123.87 0.868 . . . . 0.0 110.858 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -55.23 -39.79 70.1 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.583 0.628 . . . . 0.0 112.202 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -60.76 -40.05 91.05 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.368 1.467 . . . . 0.0 113.209 174.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.78 63.31 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.48 -0.763 . . . . 0.0 112.191 175.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -55.2 -41.04 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.419 1.008 . . . . 0.0 111.32 174.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 -59.87 -24.03 63.91 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.8 mtm -78.63 -11.74 59.98 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 171.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.01 -4.27 9.74 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.71 1.624 . . . . 0.0 115.823 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -69.68 166.34 19.36 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.094 1.447 . . . . 0.0 113.201 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 m -91.53 142.76 27.3 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.455 1.102 . . . . 0.0 112.173 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -51.05 -46.32 61.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.034 0.934 . . . . 0.0 112.739 172.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -64.27 -12.83 45.14 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -96.41 -35.42 11.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.07 0.85 . . . . 0.0 112.247 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mm -68.36 -50.01 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 119.464 1.029 . . . . 0.0 111.169 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -44.22 75.14 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.794 -0.566 . . . . 0.0 111.369 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -64.46 -54.16 36.88 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.366 1.466 . . . . 0.0 111.444 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 tt -62.44 -35.19 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 118.543 0.611 . . . . 0.0 111.99 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.3 mtt -66.63 -53.99 28.12 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.073 0.852 . . . . 0.0 113.169 173.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.49 -35.37 75.76 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.925 1.239 . . . . 0.0 112.323 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.67 -49.76 67.41 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.276 1.031 . . . . 0.0 111.768 172.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -54.83 -49.63 70.56 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.347 1.459 . . . . 0.0 112.188 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.6 mt -59.66 -45.25 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.74 0.816 . . . . 0.0 110.617 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -63.67 -50.83 67.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.267 1.027 . . . . 0.0 112.787 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.9 mm -72.88 -51.53 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.703 1.601 . . . . 0.0 112.307 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 t -92.23 -40.45 10.96 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.171 1.389 . . . . 0.0 113.556 -170.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.8 -15.76 13.97 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 125.763 1.649 . . . . 0.0 115.427 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.0 m -139.32 147.27 41.36 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.897 1.679 . . . . 0.0 111.009 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -74.2 166.68 23.02 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.235 0.541 . . . . 0.0 111.96 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -65.06 141.52 58.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.625 1.17 . . . . 0.0 112.266 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -121.37 -5.13 9.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.905 1.682 . . . . 0.0 115.238 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 m -136.14 145.52 45.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.752 1.221 . . . . 0.0 110.97 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 mp -55.87 -46.66 78.23 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.468 1.107 . . . . 0.0 111.172 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.55 -55.35 19.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.286 1.435 . . . . 0.0 112.996 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.34 -38.32 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 122.975 0.51 . . . . 0.0 112.146 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -55.67 29.08 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.774 0.829 . . . . 0.0 110.658 177.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.69 -34.99 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.023 0.929 . . . . 0.0 112.875 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.21 82.83 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.571 0.748 . . . . 0.0 111.506 171.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -64.72 -38.57 91.43 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.998 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.8 mt -57.51 -57.03 14.49 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 120.045 1.293 . . . . 0.0 112.411 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 m -63.87 -20.33 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -82.48 -49.47 9.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.176 0.99 . . . . 0.0 112.336 173.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.74 71.81 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.232 1.413 . . . . 0.0 113.698 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 176.247 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 . . . . . 0 CA--C 1.545 0.775 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.0 m -55.07 -29.99 58.7 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.55 1.54 . . . . 0.0 113.192 168.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.09 -42.58 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.481 1.112 . . . . 0.0 110.911 173.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -76.56 -41.39 46.67 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.607 0.763 . . . . 0.0 112.46 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -69.64 -20.32 63.6 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.85 95.47 31.82 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.096 1.358 . . . . 0.0 111.501 -168.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.37 -18.77 49.97 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.32 2.68 . . . . 0.0 114.28 -170.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.5 mtp -59.02 -23.22 61.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.391 1.476 . . . . 0.0 112.961 171.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.52 -58.49 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.15 0.98 . . . . 0.0 110.823 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -46.85 -48.33 21.02 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.248 1.419 . . . . 0.0 112.05 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -60.6 -40.59 92.34 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.868 1.667 . . . . 0.0 113.427 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.9 77.66 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.068 -1.02 . . . . 0.0 112.303 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -55.44 -41.77 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 119.46 1.027 . . . . 0.0 111.138 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -56.33 -33.97 66.12 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.3 mtm -67.09 -22.04 65.84 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.73 2.7 5.22 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.304 1.43 . . . . 0.0 116.327 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.48 ' CB ' HD11 ' A' ' 44' ' ' ILE . 69.6 m-85 -72.78 167.89 19.94 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.018 1.409 . . . . 0.0 113.217 173.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.0 m -91.83 139.31 30.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.642 1.577 . . . . 0.0 112.202 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -49.66 -48.99 49.02 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.647 1.179 . . . . 0.0 113.443 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -50.79 -50.55 55.9 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.62 1.568 . . . . 0.0 111.936 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -62.2 -43.28 99.18 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.327 0.651 . . . . 0.0 112.38 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.48 HD11 ' CB ' ' A' ' 39' ' ' PHE . 6.3 mm -64.56 -51.88 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.471 0.578 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -34.48 77.73 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.836 -0.54 . . . . 0.0 111.813 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -65.54 -50.93 63.38 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.109 1.363 . . . . 0.0 111.012 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 tt -64.79 -36.93 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 118.951 -0.547 . . . . 0.0 112.07 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmt -58.85 -56.84 17.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.116 0.967 . . . . 0.0 112.409 172.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.47 -40.39 94.35 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.786 0.721 . . . . 0.0 112.442 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -45.76 83.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.243 0.929 . . . . 0.0 113.039 172.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -55.19 -52.31 63.74 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.909 1.231 . . . . 0.0 111.331 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.0 mt -62.55 -44.83 99.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 123.653 0.781 . . . . 0.0 110.856 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -62.61 -43.99 97.43 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.2 mm -81.26 -51.92 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.136 1.374 . . . . 0.0 111.654 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -86.16 -25.73 25.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.755 1.222 . . . . 0.0 114.136 -172.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.85 -5.45 69.23 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.392 1.472 . . . . 0.0 115.682 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -145.71 166.57 25.46 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.329 1.452 . . . . 0.0 112.682 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -77.37 166.96 22.46 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.444 1.098 . . . . 0.0 113.044 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -56.24 141.08 42.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.768 1.627 . . . . 0.0 113.365 172.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -69.14 -55.43 10.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.754 1.221 . . . . 0.0 112.532 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.2 m -148.41 169.96 19.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.869 2.068 . . . . 0.0 110.646 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.36 -34.87 67.06 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.393 0.677 . . . . 0.0 112.209 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -49.64 -50.32 43.64 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.802 1.241 . . . . 0.0 112.772 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.6 t -71.13 -40.94 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.12 0.968 . . . . 0.0 110.801 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -56.57 20.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.766 1.226 . . . . 0.0 111.309 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.9 -32.96 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.755 1.222 . . . . 0.0 112.86 -177.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.3 -53.6 50.26 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.636 0.774 . . . . 0.0 111.645 171.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -60.93 -36.97 80.73 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.756 -0.59 . . . . 0.0 111.901 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -56.86 -61.69 2.26 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.718 1.207 . . . . 0.0 112.56 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.75 -35.01 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.029 0.831 . . . . 0.0 111.965 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -68.42 -43.2 77.71 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.003 0.921 . . . . 0.0 112.802 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.36 83.53 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.081 0.952 . . . . 0.0 112.298 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 . . . . . 0 CA--C 1.55 0.962 0 C-N-CA 126.005 1.722 . . . . 0.0 114.646 176.552 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.454 0 CA-C-O 119.421 -0.655 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -78.12 161.56 27.3 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 118.585 1.192 . . . . 0.0 113.104 174.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.01 -25.86 11.42 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.884 1.274 . . . . 0.0 114.0 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.2 tpt -126.71 156.21 41.47 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.36 1.464 . . . . 0.0 111.562 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.89 77.82 4.39 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.149 1.38 . . . . 0.0 113.228 -174.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -72.93 -26.21 61.32 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tp -67.08 -25.88 35.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.429 1.092 . . . . 0.0 113.401 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.92 114.12 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.717 1.151 . . . . 0.0 112.403 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 t -118.82 -40.85 2.82 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.171 1.388 . . . . 0.0 112.729 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -121.48 -29.7 4.38 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.659 1.184 . . . . 0.0 113.944 175.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 50.07 30.02 3.89 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 126.271 1.828 . . . . 0.0 113.889 -176.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -69.57 -52.41 26.39 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.731 -1.231 . . . . 0.0 111.751 -174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -79.74 157.93 27.02 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.235 1.414 . . . . 0.0 111.57 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.0 p -124.5 157.56 64.79 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 125.955 1.702 . . . . 0.0 112.517 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -72.62 -21.35 22.19 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 123.218 2.612 . . . . 0.0 113.84 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.4 p -147.4 158.0 43.8 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.969 1.708 . . . . 0.0 111.344 171.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.0 tp -155.69 120.91 4.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.412 1.485 . . . . 0.0 110.005 175.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.7 m -139.65 143.32 37.12 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.489 1.116 . . . . 0.0 111.234 -174.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -70.14 -15.36 62.95 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.3 ttm105 -89.78 133.63 34.61 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.467 1.907 . . . . 0.0 111.078 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.0 pt -72.79 -175.82 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 125.086 1.354 . . . . 0.0 112.015 168.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 8.5 t70 -120.16 134.27 55.3 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.685 1.194 . . . . 0.0 111.853 174.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -62.45 -16.42 55.13 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.403 HG21 ' HB3' ' A' ' 48' ' ' MET . 9.5 m -69.84 -25.26 63.66 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 120.825 -1.172 . . . . 0.0 112.726 174.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.13 -49.25 84.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.118 0.967 . . . . 0.0 110.5 174.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -72.81 -44.35 61.59 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -70.74 -19.37 62.74 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -174.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -131.76 96.21 21.17 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 124.535 1.134 . . . . 0.0 111.926 -171.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.32 -13.96 39.03 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 123.681 2.921 . . . . 0.0 115.192 -166.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 70.9 mtp -57.64 -24.74 58.13 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.525 1.13 . . . . 0.0 112.939 171.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.14 -56.36 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 123.834 0.854 . . . . 0.0 111.248 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.24 -37.4 74.84 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -61.59 -38.67 88.43 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.204 1.002 . . . . 0.0 112.731 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.86 -52.89 61.36 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.61 -0.681 . . . . 0.0 112.059 175.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.57 -41.34 63.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.503 1.047 . . . . 0.0 111.596 174.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.72 -26.69 57.61 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.819 1.247 . . . . 0.0 114.227 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.8 mtm -78.33 -10.29 59.61 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.34 -2.39 14.14 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.872 1.701 . . . . 0.0 115.436 177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -67.95 163.09 22.91 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.219 1.51 . . . . 0.0 112.755 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.1 m -88.55 143.18 27.12 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.219 1.408 . . . . 0.0 112.057 176.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -53.47 -46.14 69.84 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.962 0.905 . . . . 0.0 113.098 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -45.67 70.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.638 1.575 . . . . 0.0 112.327 176.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -43.19 99.31 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.48 0.712 . . . . 0.0 111.629 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mm -69.75 -49.03 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 118.022 0.374 . . . . 0.0 111.718 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -58.29 -38.76 77.67 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.102 0.865 . . . . 0.0 111.746 175.074 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -50.75 66.26 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.275 1.03 . . . . 0.0 111.71 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.8 tt -66.56 -37.57 79.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 118.331 0.514 . . . . 0.0 112.018 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.403 ' HB3' HG21 ' A' ' 24' ' ' THR . 14.8 mmt -60.58 -59.03 6.05 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.948 0.899 . . . . 0.0 111.919 173.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.41 -40.34 82.18 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.138 0.881 . . . . 0.0 112.32 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -66.85 -46.76 74.03 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.937 0.895 . . . . 0.0 112.129 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -57.88 -48.69 79.1 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.005 0.922 . . . . 0.0 112.151 175.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.4 mt -63.24 -44.8 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.835 0.854 . . . . 0.0 110.784 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -59.79 -43.07 94.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.416 1.086 . . . . 0.0 113.058 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.4 mm -84.11 -52.89 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 124.744 1.217 . . . . 0.0 112.259 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.2 t -85.15 -33.44 22.33 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.916 1.286 . . . . 0.0 114.018 -173.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.27 -12.12 28.65 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.864 1.697 . . . . 0.0 115.616 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -150.6 169.46 21.5 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.191 1.495 . . . . 0.0 113.52 -177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -68.21 170.38 8.74 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.428 1.491 . . . . 0.0 112.913 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -62.41 149.21 43.12 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.85 1.26 . . . . 0.0 113.146 171.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -72.4 -53.38 12.42 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.659 1.583 . . . . 0.0 113.031 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.44 164.84 32.09 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.058 1.743 . . . . 0.0 110.979 -175.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.72 -35.29 72.43 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 118.726 -0.654 . . . . 0.0 112.094 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -49.2 -52.2 28.26 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.823 1.249 . . . . 0.0 112.664 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.57 -42.3 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.861 0.864 . . . . 0.0 110.988 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -55.62 32.39 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.036 0.934 . . . . 0.0 111.451 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.3 m -69.67 -34.14 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.596 1.159 . . . . 0.0 113.041 -176.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.91 -49.63 75.42 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.573 0.749 . . . . 0.0 111.409 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.14 -35.31 80.13 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.2 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.73 -57.66 11.77 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.665 1.121 . . . . 0.0 112.445 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.7 m -60.65 -40.16 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 118.725 0.693 . . . . 0.0 111.616 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.41 -51.99 67.53 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.896 0.771 . . . . 0.0 112.255 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.7 91.58 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.937 0.895 . . . . 0.0 113.136 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -71.72 -31.82 67.13 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -69.49 -59.91 2.67 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.726 1.21 . . . . 0.0 112.511 173.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -140.35 92.05 2.49 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.552 1.541 . . . . 0.0 112.717 -170.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.7 t -149.05 164.42 34.7 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.633 1.573 . . . . 0.0 111.07 170.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.1 mmt -133.53 144.18 49.21 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.019 2.128 . . . . 0.0 110.042 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -146.06 164.73 31.2 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.886 1.274 . . . . 0.0 112.223 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -136.09 93.58 2.93 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.658 1.583 . . . . 0.0 110.73 -173.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -123.79 52.37 1.45 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.432 1.493 . . . . 0.0 111.73 -174.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.2 t -65.94 -60.04 3.24 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.429 1.092 . . . . 0.0 112.134 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.7 m -88.54 84.81 6.76 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.179 1.391 . . . . 0.0 111.742 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -101.79 140.27 36.3 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.962 1.305 . . . . 0.0 111.652 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.9 p -91.18 90.9 7.99 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.585 1.554 . . . . 0.0 111.653 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.4 t -75.46 71.28 2.39 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.3 1.04 . . . . 0.0 111.411 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -137.59 147.03 44.72 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.736 2.015 . . . . 0.0 111.174 -175.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -151.67 164.53 36.74 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.417 1.487 . . . . 0.0 112.435 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -106.53 -3.58 20.67 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.821 1.649 . . . . 0.0 113.32 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.57 145.49 52.52 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.646 1.178 . . . . 0.0 111.941 175.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.6 tt -78.97 149.79 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.951 1.3 . . . . 0.0 111.645 173.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 t -86.04 71.48 10.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.117 0.96 . . . . 0.0 111.308 170.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.5 p -68.5 -21.85 64.57 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 120.75 -1.219 . . . . 0.0 113.313 172.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.36 -33.43 75.94 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.974 0.806 . . . . 0.0 112.304 173.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -67.18 -32.33 73.33 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.233 -0.917 . . . . 0.0 112.545 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -62.97 -22.42 66.8 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.43 -21.59 62.44 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.124 0.969 . . . . 0.0 112.856 175.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -56.99 -23.72 48.19 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.324 1.049 . . . . 0.0 113.768 175.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -66.65 -26.14 66.91 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.595 1.558 . . . . 0.0 112.906 175.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.85 -40.75 16.75 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.56 1.544 . . . . 0.0 111.504 177.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.32 99.78 0.11 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.899 1.279 . . . . 0.0 112.678 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -72.88 -30.95 64.35 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.264 1.026 . . . . 0.0 112.932 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -82.23 95.24 7.49 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.318 1.447 . . . . 0.0 111.183 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -149.51 145.94 27.12 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.303 1.441 . . . . 0.0 111.116 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.254 1.296 0 C-N-CA 125.23 1.412 . . . . 0.0 111.86 174.307 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.984 -0.446 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.9 p -68.58 171.36 7.69 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.556 1.142 . . . . 0.0 112.602 169.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.66 171.62 14.09 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.47 1.508 . . . . 0.0 111.822 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -123.43 165.57 16.83 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.745 1.618 . . . . 0.0 111.723 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -128.04 152.72 47.61 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.09 1.356 . . . . 0.0 111.961 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -105.64 67.26 0.76 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.111 1.364 . . . . 0.0 111.426 -172.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 pt -68.2 -20.46 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.37 45.06 2.78 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.908 1.718 . . . . 0.0 114.273 -175.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.7 p -95.98 -27.49 15.11 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.092 1.357 . . . . 0.0 114.077 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -80.1 173.06 12.97 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.137 1.375 . . . . 0.0 111.97 173.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.0 t80 60.48 16.2 6.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.15 1.78 . . . . 0.0 114.673 178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -58.44 -47.68 83.2 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.997 1.719 . . . . 0.0 113.184 -172.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -111.84 133.58 53.96 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.782 1.633 . . . . 0.0 110.439 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.4 p -66.28 158.99 75.12 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 125.512 1.525 . . . . 0.0 112.645 176.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.86 152.05 73.84 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.383 2.055 . . . . 0.0 111.884 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 t -70.22 165.49 22.05 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.538 1.135 . . . . 0.0 112.424 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.06 101.71 3.34 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.682 1.593 . . . . 0.0 111.43 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.97 126.58 27.83 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.968 1.307 . . . . 0.0 111.29 175.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -68.57 -35.53 77.52 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.537 0.735 . . . . 0.0 112.686 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -61.32 112.61 2.23 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.914 2.086 . . . . 0.0 110.934 173.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.0 tp -62.55 137.92 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.478 0.711 . . . . 0.0 110.383 169.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -86.66 125.62 33.98 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.418 -0.801 . . . . 0.0 111.452 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -57.37 -22.36 42.11 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 175.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 m -61.71 -30.88 71.05 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.883 1.273 . . . . 0.0 112.456 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.21 -46.3 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.08 1.352 . . . . 0.0 110.331 174.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -71.7 -45.32 62.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.669 0.788 . . . . 0.0 112.298 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -72.55 -18.51 61.62 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -172.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -132.14 96.8 19.13 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 124.288 1.035 . . . . 0.0 112.021 -172.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.79 -15.29 43.86 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.496 2.797 . . . . 0.0 115.199 -166.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 42.7 mtp -57.5 -23.43 50.02 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.792 1.237 . . . . 0.0 113.1 172.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -56.51 -54.59 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.34 1.056 . . . . 0.0 111.127 176.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -57.23 -40.57 77.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.406 0.683 . . . . 0.0 112.05 -176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.4 -36.9 85.25 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.149 1.38 . . . . 0.0 113.048 174.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.43 -52.78 60.04 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.265 -0.897 . . . . 0.0 111.908 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -56.5 -39.68 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 CA-C-N 119.264 0.938 . . . . 0.0 111.59 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -55.81 -32.92 63.96 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.213 1.005 . . . . 0.0 113.66 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.3 mtm -74.19 -10.29 59.46 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.3 -2.99 14.09 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.753 1.644 . . . . 0.0 115.568 176.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -68.86 161.98 27.46 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.028 1.414 . . . . 0.0 112.946 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.1 m -86.97 138.86 31.16 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.425 1.49 . . . . 0.0 112.147 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.61 -47.98 58.04 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.162 0.985 . . . . 0.0 112.956 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -30.64 68.92 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.306 1.043 . . . . 0.0 113.613 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -79.19 -33.64 43.72 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 118.725 -0.655 . . . . 0.0 112.475 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -69.35 -50.04 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-N 119.343 0.974 . . . . 0.0 111.081 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -41.94 79.48 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 118.713 -0.66 . . . . 0.0 111.588 175.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -60.67 -54.61 43.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.244 1.018 . . . . 0.0 111.935 176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.7 tt -64.84 -37.29 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 118.532 0.606 . . . . 0.0 112.24 -177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.9 mtt -67.34 -50.69 58.93 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.244 0.929 . . . . 0.0 112.781 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -59.72 -40.22 87.28 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.756 1.162 . . . . 0.0 111.767 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -66.77 -45.73 77.55 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.557 1.143 . . . . 0.0 112.129 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -54.32 -52.93 59.96 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.168 1.387 . . . . 0.0 111.784 173.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.7 mt -60.67 -46.68 95.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.879 0.872 . . . . 0.0 110.612 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -60.17 -40.64 90.65 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.042 0.937 . . . . 0.0 112.978 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.4 mm -82.43 -55.74 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.974 1.31 . . . . 0.0 112.047 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.0 t -77.92 -38.27 45.91 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.749 1.22 . . . . 0.0 113.776 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.26 -12.17 51.67 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 126.081 1.8 . . . . 0.0 114.73 -175.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.5 m -137.9 157.41 46.46 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.178 1.791 . . . . 0.0 111.741 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -85.47 171.67 11.6 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.205 1.002 . . . . 0.0 112.244 175.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -63.57 156.55 26.22 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.235 1.414 . . . . 0.0 112.964 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -127.74 -17.48 4.51 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.783 1.633 . . . . 0.0 115.349 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.0 m -140.76 150.17 43.05 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.829 1.651 . . . . 0.0 110.057 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.09 -33.49 75.56 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.737 -0.649 . . . . 0.0 111.993 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -50.49 -55.63 15.17 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.679 1.191 . . . . 0.0 112.77 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.8 m -65.76 -36.42 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -56.26 19.9 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.435 0.694 . . . . 0.0 110.883 178.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.5 m -70.35 -33.31 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.648 1.179 . . . . 0.0 113.131 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.67 -51.23 68.03 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.494 0.717 . . . . 0.0 111.457 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -33.77 76.66 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.499 -0.762 . . . . 0.0 112.005 177.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.9 mt -56.72 -61.01 2.72 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.835 1.198 . . . . 0.0 112.1 170.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -60.42 -30.66 46.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 119.454 1.025 . . . . 0.0 112.753 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -72.69 -41.93 64.77 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.737 0.815 . . . . 0.0 112.747 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.37 -27.82 65.65 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.35 1.06 . . . . 0.0 113.156 175.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -72.34 -10.6 60.0 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.334 1.454 . . . . 0.0 114.009 173.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -67.07 168.93 9.23 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.523 1.056 . . . . 0.0 112.285 171.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.5 t0 57.18 21.14 6.24 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.383 1.873 . . . . 0.0 114.266 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.0 t -98.25 -52.57 3.62 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.164 1.785 . . . . 0.0 112.197 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 99.0 mmm -66.21 147.48 53.26 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.277 1.031 . . . . 0.0 112.366 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -146.14 125.2 12.84 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.535 1.534 . . . . 0.0 110.637 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -68.34 113.26 5.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.511 1.124 . . . . 0.0 111.205 172.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.38 -15.39 62.85 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -118.25 171.23 8.26 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.726 2.01 . . . . 0.0 111.701 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.4 m -111.6 28.93 8.29 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.045 1.738 . . . . 0.0 112.683 -172.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -58.22 -22.01 50.23 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.8 p -65.4 -59.97 3.45 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.531 1.932 . . . . 0.0 113.119 175.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.7 m 47.63 35.44 4.44 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.694 1.998 . . . . 0.0 114.571 -173.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.5 pp -139.86 169.89 16.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.542 1.537 . . . . 0.0 112.915 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -126.97 -56.04 1.36 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.716 1.606 . . . . 0.0 111.791 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -133.72 164.49 27.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 126.934 2.094 . . . . 0.0 111.55 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.95 143.47 35.0 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.035 1.734 . . . . 0.0 111.673 176.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 13.3 tt -90.06 -7.66 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.921 1.289 . . . . 0.0 113.11 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.9 m -119.56 103.65 9.61 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 126.461 1.904 . . . . 0.0 110.337 -177.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.4 m -55.07 -31.86 61.48 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.717 1.207 . . . . 0.0 112.686 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.4 mp0 -57.74 -27.46 63.02 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.046 1.739 . . . . 0.0 113.144 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.46 -37.79 85.92 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.992 0.917 . . . . 0.0 111.32 174.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -65.2 -36.01 82.85 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.281 -0.887 . . . . 0.0 112.268 176.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.43 -48.41 77.89 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.614 0.766 . . . . 0.0 111.408 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -23.0 64.58 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 175.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -70.47 -29.88 66.55 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.121 1.368 . . . . 0.0 112.79 174.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 45.2 tp -60.81 -51.34 69.72 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.192 0.997 . . . . 0.0 112.387 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -71.71 157.14 38.47 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.629 0.772 . . . . 0.0 112.916 176.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -89.39 101.03 13.71 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.642 1.177 . . . . 0.0 110.749 173.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.57 107.79 1.23 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.764 1.225 . . . . 0.0 110.793 175.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -123.71 110.45 14.97 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.259 1.824 . . . . 0.0 111.32 -174.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 C--O 1.254 1.296 0 C-N-CA 126.391 1.877 . . . . 0.0 111.915 175.458 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.178 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -78.0 168.24 20.21 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.957 0.903 . . . . 0.0 112.321 174.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.53 160.05 43.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.646 1.578 . . . . 0.0 112.258 174.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 85.8 mmm -78.51 105.95 10.13 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.113 1.365 . . . . 0.0 110.455 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.64 134.84 51.87 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.794 0.838 . . . . 0.0 111.969 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -138.68 88.89 2.33 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.676 1.59 . . . . 0.0 111.306 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.9 pt -86.45 -9.13 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.788 1.235 . . . . 0.0 113.946 177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.63 117.94 0.62 Allowed Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.205 1.383 . . . . 0.0 112.149 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.3 t -101.19 -74.27 0.62 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.952 1.301 . . . . 0.0 111.317 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -152.99 160.29 43.0 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.408 1.483 . . . . 0.0 112.177 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -156.15 145.93 21.12 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.687 1.595 . . . . 0.0 110.424 173.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -137.33 177.03 8.18 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.066 1.746 . . . . 0.0 111.49 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.69 145.42 19.3 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.428 1.091 . . . . 0.0 112.328 175.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 p -130.21 159.24 71.34 Favored Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 127.225 2.21 . . . . 0.0 111.451 -173.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.96 134.2 27.0 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.673 2.249 . . . . 0.0 112.917 -174.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.5 t -157.63 132.16 8.45 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.668 1.987 . . . . 0.0 109.786 170.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tt -94.35 -81.78 0.37 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.54 1.136 . . . . 0.0 109.432 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.0 m -146.23 145.76 30.53 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.225 1.81 . . . . 0.0 109.023 170.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -60.58 -12.04 8.86 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -67.61 -22.48 65.35 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.76 2.024 . . . . 0.0 115.236 -170.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.2 tt -72.24 -24.77 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.2 1.4 . . . . 0.0 112.99 171.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.486 ' HB2' HD12 ' A' ' 25' ' ' ILE . 62.4 m-20 -95.7 87.7 4.77 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.959 -1.088 . . . . 0.0 112.917 -164.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.95 -24.32 51.98 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.421 1.088 . . . . 0.0 113.81 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.7 m -54.27 -35.22 62.31 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.123 1.769 . . . . 0.0 113.02 174.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.486 HD12 ' HB2' ' A' ' 22' ' ' ASP . 74.0 mt -67.56 -37.18 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.745 1.618 . . . . 0.0 111.617 175.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -77.59 -48.27 17.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.973 1.309 . . . . 0.0 112.242 -178.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -70.88 -19.53 62.61 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -130.15 96.03 26.33 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 124.439 1.096 . . . . 0.0 111.64 -170.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.55 -17.26 48.42 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.311 2.674 . . . . 0.0 115.028 -166.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 43.3 mtp -58.19 -22.72 52.86 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.67 1.188 . . . . 0.0 113.624 172.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.0 t -56.84 -56.83 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 123.677 0.791 . . . . 0.0 110.808 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -54.65 -39.64 68.23 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.857 1.263 . . . . 0.0 111.966 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.41 -36.54 84.48 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.764 1.226 . . . . 0.0 113.561 174.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.43 71.66 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.261 -0.9 . . . . 0.0 111.859 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.18 -40.7 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.242 0.928 . . . . 0.0 111.346 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -56.81 -30.75 64.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.27 1.028 . . . . 0.0 113.74 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.7 mtm -76.53 -10.97 59.78 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 120.11 -4.06 12.67 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 125.734 1.635 . . . . 0.0 115.619 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -68.42 162.86 24.53 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.273 1.537 . . . . 0.0 112.587 173.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 m -89.2 141.72 28.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.938 1.295 . . . . 0.0 112.16 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -50.12 -48.08 53.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.34 1.056 . . . . 0.0 113.111 175.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -29.44 70.22 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -75.36 -37.97 60.35 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.839 0.745 . . . . 0.0 111.925 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.79 -49.23 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 119.004 0.82 . . . . 0.0 111.173 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -40.98 76.77 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.681 -0.637 . . . . 0.0 111.657 174.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -48.6 71.71 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.75 1.22 . . . . 0.0 111.917 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 tt -67.86 -33.09 59.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.247 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.2 mtt -68.73 -51.21 43.94 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.475 1.034 . . . . 0.0 113.332 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.21 -37.73 75.39 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.929 1.24 . . . . 0.0 111.956 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.39 -52.86 50.64 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.377 1.071 . . . . 0.0 111.437 173.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -51.66 -52.18 50.02 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.264 1.426 . . . . 0.0 111.777 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -59.67 -49.62 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.552 0.741 . . . . 0.0 110.649 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -62.34 -39.01 91.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.208 1.003 . . . . 0.0 113.625 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.7 mm -85.31 -52.4 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.421 1.489 . . . . 0.0 111.872 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.7 t -87.7 -26.79 22.78 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.558 1.543 . . . . 0.0 114.237 -171.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.12 -6.56 72.5 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.614 1.578 . . . . 0.0 115.638 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.7 p -144.42 148.03 34.11 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.839 1.656 . . . . 0.0 111.673 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -77.76 168.08 20.52 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.231 0.612 . . . . 0.0 111.848 173.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -65.14 140.84 58.83 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.787 1.235 . . . . 0.0 112.384 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -114.67 -13.22 12.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.099 1.76 . . . . 0.0 114.876 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.1 m -134.63 145.99 49.12 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.513 1.525 . . . . 0.0 110.912 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.55 -39.25 87.26 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.275 0.63 . . . . 0.0 112.028 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -52.1 -57.0 10.9 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.154 1.382 . . . . 0.0 112.832 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.74 -36.67 77.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.298 0.639 . . . . 0.0 112.094 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -56.91 16.02 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.308 1.043 . . . . 0.0 110.887 176.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 m -72.22 -33.44 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.153 0.981 . . . . 0.0 112.911 -174.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.26 -48.25 82.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.686 0.795 . . . . 0.0 111.418 170.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -65.39 -38.1 88.97 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.637 -0.697 . . . . 0.0 112.17 175.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.9 mt -56.75 -54.13 49.78 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.786 1.175 . . . . 0.0 112.405 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.6 m -63.18 -39.31 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 118.776 0.716 . . . . 0.0 112.095 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -62.31 -41.69 98.73 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.831 0.852 . . . . 0.0 112.625 175.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.11 -54.58 23.87 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.731 1.212 . . . . 0.0 112.135 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -66.37 -20.1 65.98 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -64.93 -20.12 66.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.216 1.407 . . . . 0.0 114.027 168.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -119.5 91.83 3.64 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.82 1.648 . . . . 0.0 111.354 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.7 p -106.19 179.23 4.33 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.046 2.139 . . . . 0.0 112.498 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -129.83 167.53 17.99 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.158 1.783 . . . . 0.0 112.414 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -60.8 105.71 0.49 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.863 1.665 . . . . 0.0 111.924 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -143.93 137.03 27.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.774 1.63 . . . . 0.0 110.947 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -144.67 133.47 22.41 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.035 1.334 . . . . 0.0 111.808 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.5 p -152.84 155.49 37.2 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.042 0.937 . . . . 0.0 112.908 169.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 66.6 m -119.63 89.68 3.18 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.54 1.536 . . . . 0.0 110.725 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -117.89 3.83 12.19 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.463 1.505 . . . . 0.0 114.331 -177.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.2 p -65.93 142.97 57.7 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.939 1.296 . . . . 0.0 112.689 178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.4 p -148.61 125.42 11.2 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.305 1.442 . . . . 0.0 111.327 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.96 153.79 26.08 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.318 1.047 . . . . 0.0 110.963 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -139.48 -66.11 0.47 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.104 1.362 . . . . 0.0 111.777 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -135.62 169.46 17.49 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.899 2.079 . . . . 0.0 111.636 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -118.48 57.21 0.86 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.863 1.665 . . . . 0.0 111.032 -174.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 49.1 mt -128.65 90.57 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.779 1.632 . . . . 0.0 109.904 -171.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.0 m -146.2 102.96 3.67 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.515 1.526 . . . . 0.0 111.525 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.2 t -61.88 -24.22 66.8 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -76.56 -30.5 57.08 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.206 -0.934 . . . . 0.0 112.862 172.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -80.06 -25.55 40.05 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.309 -0.869 . . . . 0.0 112.509 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -60.24 -17.72 43.84 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -176.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.45 -29.5 66.22 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.94 1.296 . . . . 0.0 112.562 169.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.48 -19.91 63.74 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.13 1.372 . . . . 0.0 113.571 173.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -66.72 -41.19 88.33 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.238 1.015 . . . . 0.0 111.06 172.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.58 -62.01 1.55 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.408 1.483 . . . . 0.0 110.348 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -87.98 71.55 9.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.183 0.993 . . . . 0.0 110.509 178.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.1 169.79 16.26 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.672 1.189 . . . . 0.0 113.19 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.6 107.56 0.83 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.014 1.326 . . . . 0.0 112.982 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -65.25 -42.55 93.21 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.406 1.883 . . . . 0.0 113.581 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.617 1.967 . . . . 0.0 113.269 -178.06 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 m -82.41 79.99 8.71 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.234 1.413 . . . . 0.0 111.911 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.4 -67.54 0.42 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.903 1.281 . . . . 0.0 112.418 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 34.7 mtt -91.65 161.63 14.83 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.914 1.286 . . . . 0.0 111.38 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.8 160.08 44.11 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.285 1.434 . . . . 0.0 111.158 170.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -140.31 95.53 2.89 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.362 1.065 . . . . 0.0 111.213 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.15 52.63 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 126.607 1.963 . . . . 0.0 111.66 -171.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.13 120.18 0.94 Allowed Glycine 0 CA--C 1.533 1.188 0 O-C-N 121.187 -0.946 . . . . 0.0 113.428 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.1 m -134.81 133.49 39.85 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.427 1.491 . . . . 0.0 111.648 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -113.36 -19.66 11.65 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.404 1.482 . . . . 0.0 114.219 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -131.18 94.63 3.61 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.632 1.973 . . . . 0.0 109.876 177.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -86.29 140.56 29.97 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.646 0.778 . . . . 0.0 111.232 171.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -143.38 158.22 43.82 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.141 1.776 . . . . 0.0 110.144 173.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -116.42 140.35 26.48 Favored Pre-proline 0 N--CA 1.477 0.879 0 C-N-CA 125.025 1.33 . . . . 0.0 110.944 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -70.69 135.48 28.32 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 122.759 2.306 . . . . 0.0 111.985 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.1 m -87.78 76.69 8.74 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.699 1.2 . . . . 0.0 111.562 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 tt -80.29 -58.49 3.11 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.879 0.872 . . . . 0.0 111.531 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 m -116.07 149.84 38.29 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.622 1.569 . . . . 0.0 110.556 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.3 ptt-85 -73.85 -0.5 16.12 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.9 ttm-85 -59.0 144.35 45.47 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.549 1.54 . . . . 0.0 111.062 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.5 pt -122.09 176.33 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.942 1.697 . . . . 0.0 110.378 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.68 116.69 32.19 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.632 0.773 . . . . 0.0 110.917 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -58.63 -19.76 41.8 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.253 -0.905 . . . . 0.0 113.304 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.1 m -62.6 -25.74 68.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.209 1.004 . . . . 0.0 112.994 172.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.406 HG12 HG11 ' A' ' 31' ' ' VAL . 43.9 mt -61.78 -48.76 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.347 1.059 . . . . 0.0 110.478 171.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -69.33 -44.3 71.97 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.119 0.568 . . . . 0.0 111.844 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -69.89 -22.64 63.21 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -125.29 96.89 38.32 Favored Pre-proline 0 CA--C 1.551 1.008 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -171.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -66.98 -21.29 49.95 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.769 2.979 . . . . 0.0 114.137 -171.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 57.0 mtp -57.96 -23.11 52.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.762 1.225 . . . . 0.0 112.739 172.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.467 ' HA ' HG21 ' A' ' 44' ' ' ILE . 77.7 t -59.18 -59.08 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 123.35 0.66 . . . . 0.0 110.018 175.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -54.12 -42.57 69.61 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.626 0.77 . . . . 0.0 112.749 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -59.98 -41.48 92.1 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.555 1.142 . . . . 0.0 112.835 174.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.34 -55.48 33.08 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.887 0.767 . . . . 0.0 111.632 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -53.48 -41.77 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 CA-C-N 120.269 1.395 . . . . 0.0 111.913 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -58.32 -25.74 62.24 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.552 1.141 . . . . 0.0 114.045 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.6 mtm -76.61 -3.98 40.58 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 171.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.68 9.64 28.32 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.527 1.537 . . . . 0.0 115.001 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' HB3' HD11 ' A' ' 44' ' ' ILE . 55.7 m-85 -76.2 175.72 8.74 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 118.737 1.268 . . . . 0.0 112.873 171.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 m -104.8 135.94 45.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.529 1.932 . . . . 0.0 110.828 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -52.02 -45.43 64.59 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.311 0.96 . . . . 0.0 112.813 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -44.3 68.45 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.276 1.43 . . . . 0.0 112.714 173.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.28 -40.5 86.12 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 118.552 0.614 . . . . 0.0 111.454 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.467 HG21 ' HA ' ' A' ' 31' ' ' VAL . 6.2 mm -68.03 -49.63 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 118.348 0.522 . . . . 0.0 111.725 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -41.68 90.38 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.328 -0.858 . . . . 0.0 112.069 175.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -62.56 -49.01 76.98 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.048 1.339 . . . . 0.0 111.812 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.584 HD11 ' HB3' ' A' ' 68' ' ' ASP . 10.5 tt -66.3 -38.5 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.263 177.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -57.3 12.51 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.167 0.894 . . . . 0.0 111.932 174.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.81 -44.29 81.84 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.667 0.667 . . . . 0.0 111.64 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -64.14 -48.2 76.98 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.062 0.945 . . . . 0.0 112.593 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -52.12 -53.98 36.06 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.702 1.201 . . . . 0.0 111.094 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.9 mt -68.83 -38.83 79.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 123.216 0.606 . . . . 0.0 110.903 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -63.92 -40.58 96.81 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.28 1.032 . . . . 0.0 112.881 176.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.3 mm -83.87 -54.48 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.084 1.354 . . . . 0.0 111.763 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.6 t -75.16 -48.58 22.97 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.872 1.669 . . . . 0.0 113.179 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.23 -10.33 24.52 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 126.161 1.838 . . . . 0.0 115.145 -176.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.4 p -142.69 158.91 43.17 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.682 1.593 . . . . 0.0 112.421 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -71.02 174.04 6.75 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 112.353 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -65.9 152.4 44.56 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.208 1.403 . . . . 0.0 112.715 172.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -83.41 -55.55 4.25 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.478 1.511 . . . . 0.0 112.416 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.5 m -143.57 166.78 23.88 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.389 1.876 . . . . 0.0 110.834 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.87 -34.88 70.23 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 118.251 -0.88 . . . . 0.0 111.928 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -48.08 -51.43 24.46 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.564 1.075 . . . . 0.0 112.965 175.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.41 -40.09 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 122.927 0.491 . . . . 0.0 111.046 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -58.54 7.87 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.86 0.864 . . . . 0.0 111.263 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.3 m -65.72 -37.12 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.949 1.7 . . . . 0.0 112.379 -177.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.13 -52.71 63.74 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.646 0.657 . . . . 0.0 111.232 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.584 ' HB3' HD11 ' A' ' 47' ' ' ILE . 16.6 m-20 -63.41 -36.21 82.99 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 118.594 -0.717 . . . . 0.0 111.731 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.4 mt -58.34 -58.65 7.55 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.99 1.268 . . . . 0.0 111.952 172.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.2 m -62.06 -23.77 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 118.805 0.73 . . . . 0.0 112.956 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -87.06 -27.94 22.86 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.268 1.027 . . . . 0.0 113.72 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.84 -42.1 50.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.275 1.43 . . . . 0.0 111.922 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -63.47 -9.92 15.09 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -66.05 -25.18 66.93 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.791 1.237 . . . . 0.0 113.203 174.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -62.1 162.39 9.52 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.242 0.617 . . . . 0.0 111.483 171.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.4 p -62.01 155.6 23.45 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.376 -0.827 . . . . 0.0 112.012 176.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.0 ptm -140.8 170.72 15.22 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.459 1.104 . . . . 0.0 111.95 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -59.08 124.98 21.76 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.327 1.051 . . . . 0.0 110.493 175.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.33 126.05 26.54 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.274 1.03 . . . . 0.0 111.347 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -129.3 152.52 48.77 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.507 1.123 . . . . 0.0 112.555 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.7 m -103.73 153.12 21.04 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.212 1.405 . . . . 0.0 111.673 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.1 m -154.97 155.32 34.0 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.224 1.81 . . . . 0.0 110.772 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -139.14 87.66 2.22 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.69 1.196 . . . . 0.0 110.856 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.7 m -141.09 137.32 32.76 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.839 1.656 . . . . 0.0 110.322 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.2 m -140.35 171.09 14.63 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.398 1.879 . . . . 0.0 110.835 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.8 mt -116.3 158.03 24.05 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.283 1.433 . . . . 0.0 111.107 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -122.84 173.34 7.84 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.8 1.64 . . . . 0.0 111.572 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -121.67 152.03 39.81 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.175 1.79 . . . . 0.0 111.43 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -89.42 173.87 8.12 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.068 1.347 . . . . 0.0 112.98 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 39.1 mm -132.13 138.48 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.711 1.605 . . . . 0.0 110.319 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.5 m -100.67 84.68 2.78 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.646 1.579 . . . . 0.0 111.398 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.7 t -60.44 -24.29 65.1 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.346 1.059 . . . . 0.0 113.653 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.56 -35.87 75.1 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.849 1.26 . . . . 0.0 112.56 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -72.5 -28.86 63.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.99 0.916 . . . . 0.0 112.423 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -63.48 -37.96 89.29 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.854 0.861 . . . . 0.0 111.248 175.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.1 -36.71 73.29 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.092 1.357 . . . . 0.0 112.684 178.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -58.71 5.16 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.298 1.439 . . . . 0.0 109.928 174.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 45.2 ttm-85 -59.03 -23.79 62.27 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.379 1.472 . . . . 0.0 113.993 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -41.38 75.23 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.071 1.748 . . . . 0.0 112.225 172.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.45 89.47 0.35 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.37 1.068 . . . . 0.0 110.494 174.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -160.28 169.28 23.5 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.975 2.11 . . . . 0.0 110.098 175.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -125.34 157.92 35.53 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.737 1.615 . . . . 0.0 111.97 174.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -71.96 122.52 20.97 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.65 -0.656 . . . . 0.0 110.5 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.139 1.776 . . . . 0.0 110.704 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.085 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -59.11 146.72 37.67 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.353 1.461 . . . . 0.0 112.952 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.85 -175.03 4.97 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.847 1.659 . . . . 0.0 112.031 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.83 173.97 1.19 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.169 1.388 . . . . 0.0 112.159 169.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.71 150.72 9.2 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.862 1.265 . . . . 0.0 113.785 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.56 -14.2 49.01 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.754 1.622 . . . . 0.0 115.049 -169.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 tp -53.62 -43.96 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 125.032 1.333 . . . . 0.0 112.253 170.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.59 -94.46 0.05 OUTLIER Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.104 1.811 . . . . 0.0 113.827 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.6 m 53.76 30.28 10.97 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.929 2.092 . . . . 0.0 115.039 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -69.77 -24.01 63.45 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.379 1.072 . . . . 0.0 113.754 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.29 66.48 9.21 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.859 1.264 . . . . 0.0 111.956 -171.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -132.37 136.49 46.86 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.251 1.42 . . . . 0.0 112.552 -175.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -145.18 171.41 14.58 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.65 1.98 . . . . 0.0 112.506 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 p -79.2 159.17 73.4 Favored Pre-proline 0 N--CA 1.479 0.995 0 C-N-CA 125.966 1.706 . . . . 0.0 112.901 170.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -72.96 174.58 11.73 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.665 2.91 . . . . 0.0 112.86 171.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -119.07 -168.17 1.51 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.677 1.991 . . . . 0.0 111.74 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.12 98.83 0.08 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.075 1.75 . . . . 0.0 111.39 172.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.8 m -142.56 129.53 20.69 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.507 1.523 . . . . 0.0 110.241 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -71.84 -22.02 61.6 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -62.47 152.47 34.4 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.835 2.054 . . . . 0.0 111.859 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.1 pt -106.24 -178.86 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.837 1.655 . . . . 0.0 110.949 173.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -122.06 129.67 52.61 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.675 1.19 . . . . 0.0 111.139 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -61.26 -16.92 50.46 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.9 m -69.52 -21.85 63.63 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.786 -1.197 . . . . 0.0 112.835 171.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.11 -52.76 57.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.331 1.052 . . . . 0.0 110.199 170.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -69.98 -43.83 70.67 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -70.21 -18.21 63.16 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -131.76 93.34 28.11 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 124.219 1.008 . . . . 0.0 111.913 -170.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.61 -15.43 47.56 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.698 2.932 . . . . 0.0 115.085 -165.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.7 mtp -56.45 -23.73 40.8 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.296 1.438 . . . . 0.0 113.213 171.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.67 -58.08 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 124.633 1.173 . . . . 0.0 111.388 177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -56.27 -38.99 71.93 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.781 0.832 . . . . 0.0 112.434 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -64.41 -33.85 76.81 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.75 1.22 . . . . 0.0 113.123 175.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.65 -51.56 58.57 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.098 -1.001 . . . . 0.0 112.078 173.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -56.33 -41.03 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 119.362 0.983 . . . . 0.0 111.34 175.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -55.02 -33.15 62.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.574 1.15 . . . . 0.0 113.855 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.8 mtm -75.37 -10.39 59.42 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.3 -3.52 13.92 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.481 1.515 . . . . 0.0 115.618 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -68.01 167.44 13.86 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.045 1.422 . . . . 0.0 112.13 171.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.3 m -101.31 143.47 31.33 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.74 1.216 . . . . 0.0 112.09 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -50.37 -46.86 56.26 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.56 1.144 . . . . 0.0 113.08 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -33.93 66.7 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.336 1.455 . . . . 0.0 113.756 178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -76.17 -37.5 57.82 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.419 0.688 . . . . 0.0 112.319 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mm -69.31 -48.47 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 119.154 0.888 . . . . 0.0 111.113 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -40.92 84.74 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.692 -0.63 . . . . 0.0 111.83 175.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -53.18 60.51 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.951 1.7 . . . . 0.0 111.545 175.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 tt -67.33 -35.25 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 118.699 -0.667 . . . . 0.0 112.266 -177.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.7 mtt -67.98 -49.67 60.25 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.542 1.065 . . . . 0.0 112.89 174.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -60.54 -36.69 79.05 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.7 1.137 . . . . 0.0 111.936 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -53.78 39.58 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.044 0.937 . . . . 0.0 111.966 172.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -51.56 -51.86 51.94 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.385 1.474 . . . . 0.0 112.067 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.3 mt -61.61 -48.31 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 123.65 0.78 . . . . 0.0 110.495 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -65.14 -35.12 80.09 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.4 mm -80.36 -61.38 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.431 1.492 . . . . 0.0 111.747 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -82.31 -25.96 33.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.197 1.399 . . . . 0.0 114.034 -168.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.02 -6.56 64.15 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.806 1.67 . . . . 0.0 115.284 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.5 p -144.13 162.15 37.02 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.774 1.63 . . . . 0.0 112.228 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -88.29 170.05 11.32 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.781 0.832 . . . . 0.0 111.901 175.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -61.24 150.74 33.68 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.435 1.494 . . . . 0.0 112.94 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -122.2 -17.6 7.11 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.7 m -143.11 150.2 39.15 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.166 1.786 . . . . 0.0 110.552 173.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.76 -38.73 79.12 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.357 0.663 . . . . 0.0 111.537 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -50.05 -48.04 53.13 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.955 1.302 . . . . 0.0 112.757 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.34 -44.7 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.056 0.942 . . . . 0.0 110.884 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -55.2 38.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.746 1.218 . . . . 0.0 111.127 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.53 -34.24 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.347 1.059 . . . . 0.0 112.932 -175.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.21 -49.06 77.28 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.485 0.714 . . . . 0.0 111.585 172.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -64.32 -39.29 93.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 118.817 -0.611 . . . . 0.0 112.0 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.0 mt -56.27 -55.41 33.63 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.37 1.068 . . . . 0.0 112.248 174.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -60.34 -44.5 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 118.972 0.805 . . . . 0.0 111.417 177.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -61.21 -37.76 84.16 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.002 0.819 . . . . 0.0 113.093 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.64 -43.35 69.39 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.773 1.229 . . . . 0.0 113.197 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -78.53 -24.58 45.65 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -64.07 166.91 7.01 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.369 1.468 . . . . 0.0 112.1 169.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.77 161.22 15.64 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.373 1.069 . . . . 0.0 112.908 171.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.9 m -72.78 77.21 1.13 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.279 1.432 . . . . 0.0 112.328 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 86.1 mmm -55.17 133.26 48.99 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.548 1.539 . . . . 0.0 111.713 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.7 160.16 19.69 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.224 1.81 . . . . 0.0 112.155 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -113.18 81.58 1.52 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.291 1.437 . . . . 0.0 111.329 -173.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -73.51 81.51 1.46 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.713 1.205 . . . . 0.0 111.054 176.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -60.86 -38.02 84.12 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.889 1.276 . . . . 0.0 112.449 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.2 m -60.52 118.66 6.78 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.826 1.65 . . . . 0.0 111.623 171.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -60.85 155.66 19.06 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.289 1.036 . . . . 0.0 112.713 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.2 m -61.84 104.51 0.46 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.606 1.562 . . . . 0.0 111.387 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.3 t -131.14 -42.37 1.09 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.621 1.568 . . . . 0.0 112.315 -176.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.79 151.73 49.5 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.326 1.85 . . . . 0.0 110.582 171.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -117.95 -5.37 11.02 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.133 1.373 . . . . 0.0 113.162 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -77.16 159.52 29.67 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.981 1.712 . . . . 0.0 112.887 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -153.64 174.5 14.4 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.422 2.289 . . . . 0.0 111.25 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 61.7 mt -120.85 103.36 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.2 1.4 . . . . 0.0 110.605 -175.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.4 m -79.78 52.62 1.49 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.9 1.68 . . . . 0.0 113.448 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.1 t -59.24 -30.3 68.16 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 120.681 -1.262 . . . . 0.0 113.058 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.93 -33.09 74.94 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.958 1.303 . . . . 0.0 112.909 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -75.01 -35.74 61.96 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.855 0.862 . . . . 0.0 111.941 177.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -60.83 -32.47 71.85 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.693 -0.629 . . . . 0.0 112.144 173.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -52.3 66.07 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.067 0.947 . . . . 0.0 110.923 174.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -61.99 -35.65 79.16 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.593 1.157 . . . . 0.0 113.312 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -60.42 -52.72 64.03 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.041 1.336 . . . . 0.0 111.279 175.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -54.74 9.55 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.704 1.202 . . . . 0.0 111.779 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -82.41 85.97 6.81 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.568 1.547 . . . . 0.0 111.453 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -132.42 169.21 16.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.599 1.56 . . . . 0.0 113.092 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -112.2 145.62 39.57 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.756 1.622 . . . . 0.0 111.196 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.39 170.93 16.89 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.365 1.466 . . . . 0.0 113.075 176.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--O 1.254 1.341 0 C-N-CA 126.795 2.038 . . . . 0.0 114.72 -176.841 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p -61.54 135.89 57.82 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 122.0 -0.706 . . . . 0.0 111.473 168.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.49 164.52 33.92 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.166 1.386 . . . . 0.0 111.921 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.3 ptp -154.29 161.35 41.84 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.224 1.41 . . . . 0.0 112.565 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -151.6 163.98 37.88 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.062 1.745 . . . . 0.0 111.15 170.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -144.08 91.9 2.27 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.066 1.346 . . . . 0.0 110.837 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.41 7.3 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 126.332 1.853 . . . . 0.0 113.267 -174.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -111.68 72.07 0.21 Allowed Glycine 0 CA--C 1.532 1.095 0 C-N-CA 126.197 1.856 . . . . 0.0 112.989 -176.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m -72.2 6.78 2.01 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.722 1.609 . . . . 0.0 114.708 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -70.95 -14.64 62.44 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.841 2.056 . . . . 0.0 115.636 -172.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -72.96 79.16 1.17 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.96 1.304 . . . . 0.0 113.079 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -77.29 -67.46 0.71 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.858 1.263 . . . . 0.0 111.755 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -142.76 171.91 13.41 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.733 2.413 . . . . 0.0 111.261 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.1 p -130.77 158.6 74.4 Favored Pre-proline 0 N--CA 1.478 0.967 0 C-N-CA 126.294 1.838 . . . . 0.0 111.879 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.49 159.65 45.9 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.958 2.439 . . . . 0.0 113.342 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 m -98.25 -12.75 21.28 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.289 1.436 . . . . 0.0 113.879 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.82 108.03 1.36 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.489 1.516 . . . . 0.0 110.179 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 m -129.89 150.07 51.34 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.617 1.567 . . . . 0.0 110.573 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -69.29 -0.49 6.26 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -138.62 146.87 42.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 128.288 2.635 . . . . 0.0 111.565 -173.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.6 tp -60.45 156.52 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.119 1.768 . . . . 0.0 113.347 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.63 -10.98 59.28 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.326 1.45 . . . . 0.0 114.26 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -57.61 -22.82 47.53 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.604 1.562 . . . . 0.0 115.025 -168.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 m -58.78 -28.32 65.83 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.828 1.251 . . . . 0.0 113.149 173.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.8 mt -58.22 -45.28 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.144 1.378 . . . . 0.0 111.178 171.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.64 -44.13 57.7 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.93 0.892 . . . . 0.0 112.178 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -71.6 -19.52 62.12 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 -171.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -134.21 101.34 12.41 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 124.34 1.056 . . . . 0.0 112.229 -170.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.82 -15.28 40.39 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 123.395 2.73 . . . . 0.0 115.332 -167.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.4 mtp -60.09 -21.61 61.71 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.077 0.951 . . . . 0.0 112.825 171.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -60.27 -58.33 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.827 0.851 . . . . 0.0 111.02 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.25 -36.97 71.63 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.031 0.832 . . . . 0.0 112.683 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -62.88 -29.39 70.73 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.306 1.442 . . . . 0.0 113.388 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.27 -53.86 17.62 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.974 -1.079 . . . . 0.0 111.599 170.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.2 mp -53.75 -40.07 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.117 0.871 . . . . 0.0 112.354 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.89 -23.17 60.72 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 mtm -81.05 -8.94 59.88 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.72 -3.5 17.4 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.709 1.623 . . . . 0.0 115.47 177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -67.09 164.47 17.84 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.132 1.466 . . . . 0.0 112.36 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.3 m -99.11 138.66 35.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.827 1.251 . . . . 0.0 112.173 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -47.88 -48.84 31.08 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.115 1.366 . . . . 0.0 113.388 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -30.47 66.88 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.951 1.3 . . . . 0.0 114.056 179.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -77.95 -37.02 48.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.065 0.848 . . . . 0.0 111.574 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.0 mm -67.98 -48.49 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 118.925 0.784 . . . . 0.0 111.144 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -42.76 85.45 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 118.859 0.754 . . . . 0.0 111.775 173.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -63.64 -40.55 97.15 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.201 1.401 . . . . 0.0 113.26 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.7 tt -76.32 -37.62 31.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.425 1.011 . . . . 0.0 112.171 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.6 mmt -58.12 -57.93 10.7 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.787 1.235 . . . . 0.0 111.965 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.28 -43.57 78.93 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.456 0.702 . . . . 0.0 111.828 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.34 -45.27 76.87 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.05 0.94 . . . . 0.0 112.217 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -55.33 -52.0 64.9 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.395 1.078 . . . . 0.0 111.301 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.06 -45.19 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 124.197 0.999 . . . . 0.0 110.887 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -61.17 -50.91 71.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.754 1.221 . . . . 0.0 113.056 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 39.8 mm -76.02 -53.86 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.306 1.443 . . . . 0.0 111.97 -176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.0 t -80.87 -34.61 33.54 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.426 1.09 . . . . 0.0 113.532 -174.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.04 -9.0 50.37 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.897 1.713 . . . . 0.0 114.986 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m -141.35 161.98 36.59 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.418 1.487 . . . . 0.0 112.711 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -74.86 171.26 14.33 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.175 1.39 . . . . 0.0 111.933 175.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -64.21 149.34 48.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.875 1.67 . . . . 0.0 113.219 173.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -77.96 -58.76 3.09 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.583 1.553 . . . . 0.0 112.121 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 m -148.1 169.27 20.36 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 127.722 2.409 . . . . 0.0 110.194 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.9 -34.2 69.57 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.453 0.701 . . . . 0.0 112.667 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -50.69 -49.77 56.55 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.671 1.189 . . . . 0.0 112.779 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -69.27 -42.67 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.013 0.925 . . . . 0.0 110.727 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -55.58 33.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.111 1.365 . . . . 0.0 111.68 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.3 m -69.85 -33.14 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.064 0.946 . . . . 0.0 112.923 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.05 73.17 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.637 0.775 . . . . 0.0 111.456 172.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.66 -39.34 93.61 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.78 -0.629 . . . . 0.0 112.411 174.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.68 -59.27 5.09 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.284 0.947 . . . . 0.0 112.204 174.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.4 m -62.0 -34.46 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-N 118.81 0.732 . . . . 0.0 112.288 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -64.51 -44.82 89.73 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.144 0.978 . . . . 0.0 112.577 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.93 -32.64 69.6 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.815 1.246 . . . . 0.0 113.482 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -70.81 -34.19 71.47 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.967 0.907 . . . . 0.0 112.828 173.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -67.42 164.41 18.75 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.712 1.205 . . . . 0.0 112.402 171.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.1 t70 50.85 32.2 6.98 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.452 1.901 . . . . 0.0 114.144 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.1 t -63.09 156.97 23.38 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.568 1.147 . . . . 0.0 112.763 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 83.7 mtp -134.57 -44.59 0.75 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.074 1.35 . . . . 0.0 113.656 -174.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -75.52 128.11 34.58 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.421 0.688 . . . . 0.0 110.887 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -137.88 168.04 20.52 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.849 1.66 . . . . 0.0 111.759 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -130.31 164.17 25.2 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.097 1.759 . . . . 0.0 111.38 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.4 p -149.63 157.71 43.5 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.108 1.363 . . . . 0.0 112.333 174.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 76.4 p -163.01 165.52 24.77 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.742 1.217 . . . . 0.0 113.305 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -81.62 158.05 24.48 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.992 0.917 . . . . 0.0 111.958 169.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.0 m -145.54 129.25 17.17 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.664 1.185 . . . . 0.0 110.501 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.5 p -69.16 169.43 12.02 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.649 1.18 . . . . 0.0 112.961 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.79 175.7 9.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.472 1.509 . . . . 0.0 112.021 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -130.27 161.52 31.04 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.622 1.569 . . . . 0.0 111.579 174.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -151.33 160.05 43.99 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.373 1.469 . . . . 0.0 110.839 173.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.35 174.88 10.05 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.924 1.689 . . . . 0.0 111.214 173.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.6 tp -138.24 127.02 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.539 1.136 . . . . 0.0 110.785 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -72.7 91.49 1.47 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.006 0.923 . . . . 0.0 110.815 174.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 p -61.07 -21.53 63.75 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.624 1.169 . . . . 0.0 112.853 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -59.07 -29.85 67.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.998 1.319 . . . . 0.0 112.794 171.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -71.13 -27.9 63.9 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.197 -0.939 . . . . 0.0 112.404 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -68.27 -32.54 72.78 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.163 -0.96 . . . . 0.0 112.028 175.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.63 -26.63 67.16 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.02 0.928 . . . . 0.0 112.654 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -61.76 -27.57 68.83 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.516 1.126 . . . . 0.0 112.868 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -28.99 69.96 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.405 1.882 . . . . 0.0 112.864 174.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.29 -40.79 81.68 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.24 1.416 . . . . 0.0 111.675 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -64.36 114.83 4.54 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.076 1.351 . . . . 0.0 111.555 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -142.95 108.89 5.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.833 1.253 . . . . 0.0 111.975 -176.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -96.29 113.41 25.01 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.108 1.363 . . . . 0.0 110.761 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -134.52 177.07 8.06 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.769 1.627 . . . . 0.0 112.353 173.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.629 1.972 . . . . 0.0 110.355 177.047 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -118.37 153.59 33.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.592 1.557 . . . . 0.0 111.78 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.83 164.26 26.87 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.972 0.909 . . . . 0.0 112.229 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 41.1 mtt -136.65 152.57 50.56 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.218 1.407 . . . . 0.0 111.564 172.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -103.29 -29.57 11.17 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.999 1.32 . . . . 0.0 112.47 170.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -65.59 -19.65 66.0 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.168 1.387 . . . . 0.0 113.893 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 tp -69.17 -21.23 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 C-N-CA 124.862 1.265 . . . . 0.0 112.918 171.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.16 131.55 10.47 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.979 1.276 . . . . 0.0 112.536 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.1 m -91.45 -59.53 2.12 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.348 1.059 . . . . 0.0 112.297 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 44.82 46.5 8.82 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.357 1.863 . . . . 0.0 113.111 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -129.46 99.02 5.04 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.513 1.525 . . . . 0.0 111.352 -174.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -83.95 110.74 18.66 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.04 1.336 . . . . 0.0 111.369 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -59.72 161.79 5.89 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.379 1.472 . . . . 0.0 111.923 170.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.5 t -111.46 143.67 28.96 Favored Pre-proline 0 N--CA 1.479 0.985 0 C-N-CA 124.614 1.166 . . . . 0.0 111.424 175.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.33 168.23 24.02 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 122.669 2.246 . . . . 0.0 111.757 170.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 65.3 p -61.72 -34.35 75.65 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.29 1.036 . . . . 0.0 113.123 173.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.5 tp -84.84 92.99 8.4 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.35 1.46 . . . . 0.0 110.973 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.1 t -119.29 176.78 5.17 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.191 1.797 . . . . 0.0 111.884 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -59.32 163.27 4.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.746 1.618 . . . . 0.0 112.196 172.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 tpp85 -61.38 160.13 11.37 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.01 1.324 . . . . 0.0 111.978 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.9 tt -54.26 125.61 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.083 0.953 . . . . 0.0 111.13 174.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -89.74 129.04 36.21 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.188 0.995 . . . . 0.0 110.897 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -59.01 -24.5 62.84 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.5 m -61.27 -28.06 68.91 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.638 1.175 . . . . 0.0 112.881 174.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.6 mt -57.01 -46.38 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.515 1.126 . . . . 0.0 110.628 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.25 -41.69 60.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.324 0.65 . . . . 0.0 112.215 179.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -70.66 -21.93 62.55 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.78 97.15 27.84 Favored Pre-proline 0 CA--C 1.553 1.062 0 C-N-CA 124.315 1.046 . . . . 0.0 112.089 -168.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.34 -18.05 49.78 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.369 2.713 . . . . 0.0 114.427 -170.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.8 mtp -56.79 -24.91 53.87 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.238 1.415 . . . . 0.0 113.093 171.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.54 -58.61 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.398 1.079 . . . . 0.0 111.002 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -51.87 -44.11 63.57 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.786 1.234 . . . . 0.0 112.021 -178.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -62.21 -37.41 85.23 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.131 1.373 . . . . 0.0 113.335 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.66 46.91 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.119 0.872 . . . . 0.0 112.08 174.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -55.41 -39.6 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 CA-C-N 119.583 1.083 . . . . 0.0 111.516 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.7 ttm-85 -59.4 -22.36 61.31 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.7 mtm -81.29 -8.9 59.82 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 171.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.25 -1.41 18.96 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.725 1.631 . . . . 0.0 115.53 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -68.38 166.72 16.07 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.076 1.438 . . . . 0.0 112.786 173.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -94.44 139.75 30.72 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.282 1.433 . . . . 0.0 112.143 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -51.35 -46.71 62.78 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.403 1.081 . . . . 0.0 112.957 177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -51.81 -48.23 63.94 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.085 1.754 . . . . 0.0 112.469 175.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.42 -36.65 83.36 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.248 0.619 . . . . 0.0 112.485 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mm -68.51 -51.48 46.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 119.17 0.895 . . . . 0.0 111.496 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -39.19 79.78 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.025 0.829 . . . . 0.0 111.92 176.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -62.42 -51.19 68.52 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.378 1.071 . . . . 0.0 111.813 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -66.08 -37.67 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 118.767 -0.635 . . . . 0.0 112.298 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 mtt -65.33 -51.67 59.07 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 119.277 0.944 . . . . 0.0 112.689 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.74 -40.04 93.71 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 118.987 0.812 . . . . 0.0 111.944 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.62 -49.41 71.19 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.869 0.759 . . . . 0.0 112.13 174.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -53.39 -54.14 41.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.753 1.221 . . . . 0.0 111.416 176.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.44 -42.05 94.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.695 0.798 . . . . 0.0 111.161 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -62.23 -45.9 91.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.239 1.016 . . . . 0.0 113.178 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.0 mm -80.47 -51.53 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.016 1.326 . . . . 0.0 112.026 -176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.0 t -86.07 -32.08 21.58 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.393 1.477 . . . . 0.0 113.894 -173.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.6 -12.27 59.63 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 125.706 1.622 . . . . 0.0 115.273 179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.9 m -137.89 163.37 31.64 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.96 1.704 . . . . 0.0 111.974 178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -73.42 169.4 17.25 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.524 1.129 . . . . 0.0 112.563 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -59.0 148.4 30.92 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.78 1.232 . . . . 0.0 112.999 165.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -75.83 -59.44 2.75 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.058 1.743 . . . . 0.0 111.976 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 m -145.74 167.56 22.85 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.04 2.136 . . . . 0.0 110.556 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -55.85 -37.65 69.04 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.969 0.907 . . . . 0.0 112.242 -176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.56 -33.89 56.33 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.6 t -82.34 -44.63 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 123.539 0.736 . . . . 0.0 110.241 174.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.45 -55.18 31.47 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.775 1.23 . . . . 0.0 111.458 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.2 m -69.72 -34.61 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.804 1.242 . . . . 0.0 113.044 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.07 -49.58 73.96 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.767 0.827 . . . . 0.0 111.312 172.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.32 -36.96 85.62 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.67 -0.681 . . . . 0.0 112.144 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.9 mt -56.75 -56.27 23.63 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.765 1.166 . . . . 0.0 112.211 172.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.78 -40.64 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 118.807 0.731 . . . . 0.0 111.668 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -64.33 -38.62 91.67 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 119.075 0.852 . . . . 0.0 113.291 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.83 -39.55 61.57 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.876 1.27 . . . . 0.0 113.292 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -74.54 -27.2 60.42 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -60.59 171.92 1.02 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.67 1.588 . . . . 0.0 112.833 169.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.0 t70 62.55 16.59 8.89 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 126.958 2.103 . . . . 0.0 113.978 -174.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 92.9 p -72.99 167.67 20.61 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.855 1.662 . . . . 0.0 113.056 174.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 76.4 mtp -76.82 169.12 18.89 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.602 0.761 . . . . 0.0 111.849 164.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -93.92 140.54 29.57 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.546 1.538 . . . . 0.0 110.722 174.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -143.9 138.98 28.95 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.457 1.503 . . . . 0.0 110.774 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -142.6 123.46 14.33 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.097 1.359 . . . . 0.0 110.734 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.9 p -61.79 -62.93 1.45 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.334 1.454 . . . . 0.0 112.571 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.6 t -157.19 154.77 29.8 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.907 1.683 . . . . 0.0 111.507 169.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -79.91 156.46 27.27 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.571 1.148 . . . . 0.0 113.101 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.0 p -100.61 81.03 2.26 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.448 1.499 . . . . 0.0 112.135 -175.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.2 m -79.64 5.71 12.5 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.375 1.47 . . . . 0.0 114.908 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.5 142.66 55.21 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.072 1.349 . . . . 0.0 111.901 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -76.54 154.81 34.22 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.208 1.003 . . . . 0.0 111.384 173.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -139.91 166.41 24.72 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.122 1.769 . . . . 0.0 111.999 174.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -153.7 139.04 17.58 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.043 1.337 . . . . 0.0 111.656 171.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.2 mt -104.88 -35.27 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.866 1.267 . . . . 0.0 110.741 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.5 t -76.23 78.45 3.02 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.795 1.238 . . . . 0.0 112.223 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.6 t -63.25 -32.33 73.71 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.902 0.881 . . . . 0.0 112.132 170.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -56.72 -44.64 81.82 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.009 1.324 . . . . 0.0 112.766 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -63.46 -21.36 66.26 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -74.71 -46.11 39.83 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.346 -0.846 . . . . 0.0 110.75 169.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 70.4 mt -62.21 -33.69 75.03 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.646 1.179 . . . . 0.0 112.659 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -56.55 -26.01 53.69 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.253 1.421 . . . . 0.0 114.195 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -74.13 -29.13 61.67 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.255 0.934 . . . . 0.0 113.26 174.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -86.02 -39.16 17.12 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.864 1.266 . . . . 0.0 111.791 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -64.69 129.16 38.77 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.184 1.394 . . . . 0.0 111.365 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -120.68 102.78 8.63 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.037 1.335 . . . . 0.0 111.644 -176.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.11 121.5 14.87 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.747 1.219 . . . . 0.0 111.488 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -145.89 157.66 43.89 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.107 1.763 . . . . 0.0 111.915 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.23 0 C-N-CA 125.856 1.663 . . . . 0.0 111.265 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.488 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -152.02 154.87 36.84 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.35 1.06 . . . . 0.0 111.538 165.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.25 169.23 15.95 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.793 1.237 . . . . 0.0 112.215 170.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 11.5 ptp -144.47 178.53 7.88 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.98 1.712 . . . . 0.0 111.841 174.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.92 110.28 0.78 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.217 1.407 . . . . 0.0 112.329 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -136.02 107.16 6.75 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.74 1.616 . . . . 0.0 111.169 -177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.5 pt -108.11 -2.71 10.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 125.139 1.376 . . . . 0.0 114.042 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.25 -93.52 1.87 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.469 1.509 . . . . 0.0 112.408 -175.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.2 m -141.82 119.22 11.55 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.019 1.327 . . . . 0.0 112.309 -173.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -93.68 -18.35 22.24 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.845 1.258 . . . . 0.0 114.055 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -73.15 169.98 15.9 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.906 1.282 . . . . 0.0 112.595 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 55.1 21.57 3.96 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.385 1.874 . . . . 0.0 114.748 -175.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -126.35 168.16 14.53 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.652 1.981 . . . . 0.0 112.092 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -132.08 162.36 57.17 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 127.458 2.303 . . . . 0.0 111.172 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -65.5 168.83 13.78 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 171.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.3 m -55.82 171.53 0.22 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.521 1.929 . . . . 0.0 113.528 175.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.7 mt -58.6 106.81 0.43 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 122.283 1.039 . . . . 0.0 112.01 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -65.69 168.57 7.5 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.758 2.023 . . . . 0.0 111.071 173.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 170.05 3.58 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.918 1.287 . . . . 0.0 111.76 176.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.6 ttt85 -54.49 172.22 0.1 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 127.767 2.427 . . . . 0.0 112.985 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 tt -42.64 113.31 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 126.33 1.852 . . . . 0.0 112.962 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.21 135.45 49.07 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.172 0.989 . . . . 0.0 110.79 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -61.49 -21.02 63.82 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.5 m -58.98 -29.94 67.58 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.796 1.639 . . . . 0.0 113.264 171.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.98 -47.54 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.662 1.185 . . . . 0.0 110.569 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -71.59 -42.55 67.6 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.566 0.746 . . . . 0.0 112.602 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -70.31 -20.42 63.02 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -175.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -131.49 97.36 19.52 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.214 1.005 . . . . 0.0 112.707 -170.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.39 -15.96 42.76 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.702 2.934 . . . . 0.0 115.229 -167.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.6 mtp -57.69 -25.34 60.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.586 1.154 . . . . 0.0 112.597 172.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 81.5 t -57.91 -54.91 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.195 0.998 . . . . 0.0 111.042 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -56.47 -42.34 78.08 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.414 0.686 . . . . 0.0 112.271 -175.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -62.18 -36.11 80.87 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.601 1.16 . . . . 0.0 113.401 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.99 -54.75 37.25 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.132 0.878 . . . . 0.0 111.399 173.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -54.66 -39.65 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.028 -1.045 . . . . 0.0 111.7 174.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -59.36 -24.49 63.44 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.9 mtm -80.47 -8.9 59.73 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 172.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.67 -1.89 20.03 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.709 1.623 . . . . 0.0 115.477 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -67.38 163.77 20.04 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.184 1.492 . . . . 0.0 112.351 171.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.2 m -92.97 141.25 28.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.007 1.323 . . . . 0.0 112.031 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -49.66 -46.42 49.7 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.819 1.247 . . . . 0.0 112.842 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -54.96 -45.2 74.88 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.925 1.29 . . . . 0.0 112.726 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -65.5 -38.36 89.51 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.993 -0.527 . . . . 0.0 112.169 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mm -68.81 -51.79 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 CA-C-N 118.851 0.751 . . . . 0.0 111.589 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -40.58 83.13 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.889 0.768 . . . . 0.0 112.156 177.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -51.81 67.39 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.84 1.656 . . . . 0.0 112.273 174.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 tt -68.42 -35.35 70.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 119.276 0.944 . . . . 0.0 112.606 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.3 -57.68 11.33 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.055 0.942 . . . . 0.0 111.539 173.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.46 -40.73 83.46 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.641 0.655 . . . . 0.0 112.044 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -66.59 -46.26 76.54 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.781 0.719 . . . . 0.0 112.776 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -55.6 -49.27 73.23 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.394 0.997 . . . . 0.0 111.572 176.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mt -63.97 -44.26 97.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 123.772 0.829 . . . . 0.0 110.906 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -62.8 -45.28 93.39 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.493 1.117 . . . . 0.0 112.977 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.2 mm -79.68 -55.08 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 125.32 1.448 . . . . 0.0 111.787 -177.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -79.46 -43.36 23.4 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.273 1.029 . . . . 0.0 113.109 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.61 -10.2 19.15 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.92 1.724 . . . . 0.0 115.032 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -145.49 167.21 23.54 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.422 1.489 . . . . 0.0 112.919 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -82.75 169.68 15.9 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.796 1.238 . . . . 0.0 112.073 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -59.47 149.96 28.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.755 2.422 . . . . 0.0 113.793 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.468 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -81.67 -53.23 6.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.485 1.514 . . . . 0.0 112.728 179.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -145.9 166.01 27.24 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.272 1.829 . . . . 0.0 110.774 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.24 -35.19 69.4 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.354 0.662 . . . . 0.0 112.07 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -50.19 -50.03 50.69 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.77 1.228 . . . . 0.0 112.623 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.0 t -69.88 -42.5 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.923 0.889 . . . . 0.0 110.789 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.08 -55.5 34.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.701 1.2 . . . . 0.0 111.698 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.59 -34.03 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.767 1.227 . . . . 0.0 112.903 -176.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.38 -51.7 66.54 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.592 0.757 . . . . 0.0 111.239 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -65.4 -33.15 75.28 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 118.67 -0.681 . . . . 0.0 112.179 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -58.05 -60.97 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.648 1.179 . . . . 0.0 112.393 170.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.8 m -60.58 -37.64 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 119.229 0.922 . . . . 0.0 111.849 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -59.19 -50.12 75.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.524 1.13 . . . . 0.0 112.222 173.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.87 -44.85 95.99 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.299 1.04 . . . . 0.0 112.381 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -61.96 -19.0 62.3 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -68.42 -16.47 63.92 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.401 1.0 . . . . 0.0 113.564 175.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -131.93 171.19 13.88 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.881 2.072 . . . . 0.0 111.428 -177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m -72.85 117.1 14.15 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.973 -1.08 . . . . 0.0 111.835 171.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 53.0 tpp -54.95 -35.28 64.08 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.631 1.573 . . . . 0.0 113.427 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.72 20.53 17.86 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.054 1.742 . . . . 0.0 113.86 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -61.45 89.89 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.414 1.486 . . . . 0.0 112.912 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -147.88 151.57 36.12 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.374 1.87 . . . . 0.0 110.625 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.6 p -62.29 -52.99 61.48 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.351 1.46 . . . . 0.0 113.598 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.8 p -102.55 112.47 25.22 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.243 1.817 . . . . 0.0 111.815 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -134.14 118.19 17.41 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.178 1.791 . . . . 0.0 110.677 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.5 p -75.91 45.33 0.34 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.864 2.065 . . . . 0.0 113.131 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.1 m -74.52 -31.39 62.13 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.988 1.315 . . . . 0.0 113.56 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.8 mp 51.91 26.68 3.79 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 127.282 2.233 . . . . 0.0 113.991 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -92.51 158.11 16.19 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.795 1.638 . . . . 0.0 113.403 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -81.18 177.46 9.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.526 1.93 . . . . 0.0 111.998 168.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 56.04 22.04 5.56 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.656 1.982 . . . . 0.0 114.312 -172.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 13.8 tt -92.63 -18.0 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.13 1.372 . . . . 0.0 113.186 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.8 p -81.76 25.11 0.56 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.377 2.271 . . . . 0.0 114.259 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.6 p -58.72 -19.34 39.18 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.53 1.532 . . . . 0.0 114.807 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -46.92 -40.26 13.85 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.763 1.625 . . . . 0.0 112.516 167.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -68.8 -52.89 25.33 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.506 1.122 . . . . 0.0 112.495 178.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -67.94 -31.44 71.19 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.14 -0.975 . . . . 0.0 113.06 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.17 -29.82 65.67 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.329 -0.857 . . . . 0.0 113.143 175.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.7 -29.01 69.07 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.214 1.005 . . . . 0.0 112.764 174.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 72.8 ttt-85 -64.32 -37.54 87.86 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.792 1.237 . . . . 0.0 112.66 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.0 -62.09 1.58 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.302 1.041 . . . . 0.0 110.958 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -106.07 80.6 1.53 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.756 1.223 . . . . 0.0 110.222 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.27 -53.04 33.5 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.088 0.955 . . . . 0.0 112.05 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -144.32 161.56 38.65 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.949 2.099 . . . . 0.0 111.292 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.69 165.64 35.32 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.008 1.723 . . . . 0.0 112.687 170.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.253 1.252 0 C-N-CA 126.727 2.011 . . . . 0.0 111.388 171.721 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.119 -0.392 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -64.73 146.79 54.28 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.349 1.059 . . . . 0.0 113.348 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.03 -28.91 55.05 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.71 1.204 . . . . 0.0 113.807 176.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 53.7 mtt 37.06 60.8 0.96 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.202 2.201 . . . . 0.0 113.928 -174.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -131.09 106.55 8.44 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.399 1.48 . . . . 0.0 112.342 -169.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.02 -24.43 66.16 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.31 1.444 . . . . 0.0 114.497 -177.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.2 tp -65.34 -16.49 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 C-N-CA 125.565 1.546 . . . . 0.0 113.714 174.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.71 -161.54 48.1 Favored Glycine 0 CA--C 1.536 1.369 0 O-C-N 121.098 -1.001 . . . . 0.0 113.3 -176.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -132.89 129.81 38.85 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.23 1.412 . . . . 0.0 110.949 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -126.61 76.62 1.64 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.581 1.552 . . . . 0.0 110.694 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -148.49 178.14 8.86 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.153 1.381 . . . . 0.0 112.061 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.82 135.98 57.86 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.378 1.071 . . . . 0.0 112.611 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -12.25 22.09 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.448 1.499 . . . . 0.0 114.221 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -118.47 155.75 51.77 Favored Pre-proline 0 N--CA 1.476 0.841 0 C-N-CA 126.519 1.927 . . . . 0.0 113.059 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -73.38 165.28 32.93 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 123.563 2.842 . . . . 0.0 112.275 174.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -70.08 -24.06 63.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.321 1.049 . . . . 0.0 113.476 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.02 84.95 2.91 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.425 1.49 . . . . 0.0 111.359 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -66.8 155.04 39.3 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.961 1.304 . . . . 0.0 110.637 167.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -109.81 169.02 8.99 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.093 1.357 . . . . 0.0 112.064 175.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -63.83 162.45 13.56 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.125 0.97 . . . . 0.0 111.762 164.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.1 tt -54.3 165.88 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 126.908 2.083 . . . . 0.0 112.35 173.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' H ' HD12 ' A' ' 25' ' ' ILE . 29.1 t70 -132.63 155.11 49.33 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.938 1.695 . . . . 0.0 110.717 173.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -56.73 -36.89 70.24 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.216 1.006 . . . . 0.0 112.725 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 m -63.86 -26.49 68.64 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -174.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.406 HD12 ' H ' ' A' ' 22' ' ' ASP . 62.1 mt -55.41 -43.89 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.428 1.091 . . . . 0.0 111.181 170.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -85.63 -40.44 16.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.02 0.928 . . . . 0.0 112.61 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -68.94 -23.2 64.13 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -131.91 106.83 13.9 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 124.177 0.991 . . . . 0.0 112.467 -176.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.59 -13.56 35.28 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.448 2.765 . . . . 0.0 115.035 -169.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.2 mtp -58.7 -25.65 63.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.363 1.065 . . . . 0.0 112.535 172.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.0 t -59.71 -56.31 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.55 1.14 . . . . 0.0 111.082 177.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -50.38 -45.43 55.32 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.679 1.192 . . . . 0.0 112.324 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -62.82 -35.34 79.59 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.942 1.297 . . . . 0.0 113.722 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.09 -50.63 67.58 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.194 -0.941 . . . . 0.0 111.478 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -56.82 -38.89 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 121.276 -0.89 . . . . 0.0 111.364 172.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -59.88 -22.38 62.26 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.7 mtm -82.05 -10.47 59.21 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 171.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.64 -1.79 15.61 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.634 1.587 . . . . 0.0 115.845 177.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -68.13 164.6 19.98 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.289 1.545 . . . . 0.0 112.988 174.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.3 m -89.41 139.17 30.79 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.665 1.186 . . . . 0.0 112.103 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -49.62 -45.37 48.16 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.3 1.04 . . . . 0.0 112.964 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -55.84 -35.25 66.21 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.398 1.879 . . . . 0.0 113.559 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -74.47 -43.83 54.32 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.927 0.785 . . . . 0.0 111.987 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.5 -47.47 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 118.288 0.495 . . . . 0.0 111.013 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.85 85.71 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.492 0.587 . . . . 0.0 112.374 174.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -46.98 79.77 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.638 1.175 . . . . 0.0 112.082 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 tt -70.35 -36.57 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 118.851 0.75 . . . . 0.0 112.149 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.5 mmt -58.26 -59.79 4.77 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.01 1.324 . . . . 0.0 111.989 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.32 -41.62 89.51 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.4 0.545 . . . . 0.0 111.915 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -69.48 -43.02 74.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.066 0.947 . . . . 0.0 111.889 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -53.47 -57.28 11.22 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.684 1.194 . . . . 0.0 110.768 170.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 75.5 mt -60.52 -43.4 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.759 0.823 . . . . 0.0 111.375 -178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.81 -48.77 80.36 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.959 1.304 . . . . 0.0 112.999 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.6 mm -77.56 -55.36 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.379 1.071 . . . . 0.0 112.24 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 t -78.9 -25.72 43.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.802 1.641 . . . . 0.0 113.913 -171.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.36 -5.71 84.42 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.352 1.453 . . . . 0.0 114.895 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 t -149.63 157.88 43.65 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.224 1.41 . . . . 0.0 112.37 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -67.89 172.66 5.2 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.404 1.882 . . . . 0.0 112.372 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -63.58 143.11 58.09 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.594 1.557 . . . . 0.0 112.786 173.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -67.7 -55.69 12.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.885 1.674 . . . . 0.0 112.936 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.7 m -146.29 166.07 27.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.826 1.65 . . . . 0.0 111.302 -173.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.7 mt -53.68 -41.41 66.87 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.539 1.136 . . . . 0.0 111.974 177.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -50.22 -52.39 36.25 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.702 1.601 . . . . 0.0 112.741 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.2 t -66.22 -44.18 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.943 0.897 . . . . 0.0 110.579 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -55.44 34.26 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.713 1.205 . . . . 0.0 111.618 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.6 m -69.97 -33.64 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.189 0.996 . . . . 0.0 113.078 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -49.85 73.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.205 0.602 . . . . 0.0 111.367 171.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.32 -35.0 79.43 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.875 -0.583 . . . . 0.0 112.46 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.8 mt -58.21 -61.05 2.85 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.323 0.965 . . . . 0.0 112.017 171.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.1 m -59.56 -34.23 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 119.233 0.924 . . . . 0.0 112.324 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -62.82 -53.76 49.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.056 1.342 . . . . 0.0 112.488 173.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.02 -29.62 69.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.231 1.012 . . . . 0.0 113.161 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -92.93 6.9 46.17 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.39 1.476 . . . . 0.0 114.382 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -57.07 -51.69 68.28 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.805 1.184 . . . . 0.0 112.826 175.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -118.14 162.08 18.8 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.758 1.623 . . . . 0.0 112.043 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.6 m -140.64 145.63 36.86 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.882 1.273 . . . . 0.0 111.174 -176.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.8 mmt -77.62 -22.78 50.25 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 175.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -66.74 138.58 57.49 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.927 0.785 . . . . 0.0 111.794 175.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -69.31 155.0 41.15 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.508 0.723 . . . . 0.0 111.029 170.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -67.17 159.26 29.34 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.188 -0.945 . . . . 0.0 112.111 173.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -142.03 157.34 45.04 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.124 0.969 . . . . 0.0 112.318 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.2 m -72.84 138.58 46.41 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.603 1.161 . . . . 0.0 111.411 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -142.76 139.94 31.23 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.075 1.35 . . . . 0.0 110.206 177.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -99.03 92.45 5.5 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.966 0.907 . . . . 0.0 110.42 -176.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.9 t -75.38 83.98 2.49 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.551 1.14 . . . . 0.0 111.532 178.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.05 70.04 3.4 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.83 1.652 . . . . 0.0 112.507 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.14 125.59 26.52 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.135 0.974 . . . . 0.0 112.138 172.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.45 162.7 40.48 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.991 1.716 . . . . 0.0 112.112 171.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -86.82 160.87 18.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.473 1.109 . . . . 0.0 112.268 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.9 mm -100.55 105.07 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.963 1.305 . . . . 0.0 111.278 -173.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 71.1 m -76.86 -22.65 53.19 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 29.1 p -66.55 -33.53 75.87 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.109 -0.994 . . . . 0.0 112.828 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -57.88 -44.38 86.65 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.306 -0.871 . . . . 0.0 111.713 172.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.81 -49.3 71.18 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.965 0.906 . . . . 0.0 112.713 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -66.15 -38.24 87.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.808 0.731 . . . . 0.0 112.558 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.29 -40.53 93.94 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.499 -0.751 . . . . 0.0 111.909 174.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -65.45 -18.61 65.45 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.733 1.213 . . . . 0.0 113.785 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -76.71 -54.31 6.82 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.25 0.932 . . . . 0.0 111.83 169.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.422 HD12 ' H ' ' A' ' 101' ' ' GLU . 4.1 pp -75.83 -37.18 59.29 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -174.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 47.86 24.5 0.6 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 127.432 2.293 . . . . 0.0 116.181 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.422 ' H ' HD12 ' A' ' 99' ' ' LEU . 2.2 tp10 -119.46 162.21 19.24 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.268 1.827 . . . . 0.0 111.15 -176.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -70.59 94.56 1.0 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.802 1.241 . . . . 0.0 111.861 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -64.28 173.74 1.9 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.451 1.501 . . . . 0.0 113.286 168.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.084 1.754 . . . . 0.0 112.169 173.042 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m -136.64 170.07 16.67 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.791 2.036 . . . . 0.0 111.131 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.35 164.45 17.93 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.402 1.481 . . . . 0.0 112.572 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.6 tpt -65.77 -44.4 85.94 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.091 1.357 . . . . 0.0 113.543 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.54 53.29 1.18 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.274 1.43 . . . . 0.0 112.27 -170.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -62.07 -20.7 64.28 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.1 tp -69.63 -19.41 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 125.555 1.542 . . . . 0.0 113.714 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.3 -126.41 25.44 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 121.051 -1.03 . . . . 0.0 112.413 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.7 m -132.63 166.35 22.34 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.739 1.616 . . . . 0.0 112.388 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -131.47 25.24 4.79 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.426 1.49 . . . . 0.0 113.473 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -121.32 96.54 5.12 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.894 1.678 . . . . 0.0 112.288 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -96.69 57.19 1.56 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.991 1.316 . . . . 0.0 111.89 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -139.77 164.17 30.66 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.979 1.712 . . . . 0.0 111.91 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 p -97.68 160.9 27.53 Favored Pre-proline 0 N--CA 1.479 0.987 0 C-N-CA 126.344 1.858 . . . . 0.0 112.675 175.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.46 -45.32 0.84 Allowed 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.071 2.514 . . . . 0.0 112.859 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.6 p -81.75 157.08 24.66 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.007 1.323 . . . . 0.0 112.661 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.83 -81.1 0.08 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.189 1.396 . . . . 0.0 111.33 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 m -148.11 158.42 44.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.584 1.954 . . . . 0.0 109.88 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -124.57 -179.17 4.38 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.928 2.091 . . . . 0.0 111.014 174.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -50.08 160.78 0.32 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.429 1.492 . . . . 0.0 113.092 170.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.4 pt -58.5 162.17 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.098 0.959 . . . . 0.0 111.754 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -137.28 120.75 17.09 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.34 1.056 . . . . 0.0 110.282 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -55.55 -30.79 61.4 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -54.98 -27.66 45.65 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.382 1.873 . . . . 0.0 113.667 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.6 mt -55.7 -45.54 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.489 1.116 . . . . 0.0 110.795 171.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.0 -41.95 16.73 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.002 1.321 . . . . 0.0 111.703 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -67.81 -25.08 65.4 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.161 0.984 . . . . 0.0 113.574 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -132.68 104.27 13.15 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.538 1.135 . . . . 0.0 112.148 -175.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -68.53 -13.19 36.78 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.521 2.814 . . . . 0.0 114.784 -169.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 72.3 mtp -59.38 -24.26 63.28 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.279 1.032 . . . . 0.0 112.527 172.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.43 -58.52 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 123.269 0.628 . . . . 0.0 111.242 173.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -50.85 -45.04 59.63 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.307 1.043 . . . . 0.0 112.276 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -62.37 -35.94 80.72 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.973 1.309 . . . . 0.0 113.634 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.28 -54.23 32.21 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.24 -0.912 . . . . 0.0 111.808 174.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -54.21 -39.65 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.684 1.129 . . . . 0.0 111.689 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -55.66 -29.96 60.18 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.3 mtm -76.54 -8.12 56.56 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.57 -0.9 21.91 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.788 1.661 . . . . 0.0 115.163 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -67.76 165.36 17.51 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 118.934 1.367 . . . . 0.0 112.704 172.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 m -95.42 138.8 32.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.46 1.504 . . . . 0.0 111.813 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -50.91 -48.14 60.63 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.045 0.938 . . . . 0.0 113.283 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -52.84 -43.81 66.28 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.34 1.856 . . . . 0.0 112.852 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -43.8 86.66 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.964 0.906 . . . . 0.0 111.214 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.09 -50.64 67.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.13 0.423 . . . . 0.0 111.379 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -38.93 84.91 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.593 -0.692 . . . . 0.0 112.196 176.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -49.41 76.08 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.099 0.96 . . . . 0.0 112.203 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -68.02 -37.67 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 118.736 0.698 . . . . 0.0 112.078 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -55.81 27.6 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.573 1.149 . . . . 0.0 112.065 174.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.07 -40.57 89.96 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.684 0.675 . . . . 0.0 112.141 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -66.4 -48.56 69.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.569 0.748 . . . . 0.0 112.634 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -53.63 -51.83 61.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.438 1.095 . . . . 0.0 111.359 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.9 mt -62.72 -45.75 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.481 0.713 . . . . 0.0 111.224 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -61.36 -46.35 90.61 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.104 0.866 . . . . 0.0 112.778 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -76.45 -51.53 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.696 1.198 . . . . 0.0 112.078 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.4 t -85.06 -33.86 22.39 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.168 1.387 . . . . 0.0 113.917 -171.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.12 -18.49 36.3 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 126.356 1.932 . . . . 0.0 115.209 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.3 m -140.25 165.53 27.14 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.029 1.732 . . . . 0.0 112.111 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -74.66 170.48 15.72 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.559 1.144 . . . . 0.0 112.453 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -59.31 147.12 37.1 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.213 1.805 . . . . 0.0 113.274 175.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -76.8 -50.15 14.18 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.658 1.583 . . . . 0.0 113.271 -175.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.8 m -153.09 167.55 28.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.445 2.298 . . . . 0.0 110.246 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.48 -34.16 70.57 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 118.323 -0.846 . . . . 0.0 112.434 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -51.57 -51.67 53.55 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.788 1.176 . . . . 0.0 112.739 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.64 -42.69 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.443 0.697 . . . . 0.0 110.478 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -56.2 25.0 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.625 1.17 . . . . 0.0 111.424 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -70.18 -33.94 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.846 1.258 . . . . 0.0 113.09 -175.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.37 67.96 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.453 0.701 . . . . 0.0 111.305 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.96 -35.06 79.45 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 118.832 -0.604 . . . . 0.0 112.296 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 24.8 mt -57.36 -61.67 2.31 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 119.513 1.052 . . . . 0.0 112.252 172.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 m -60.74 -33.63 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 CA-C-N 119.367 0.985 . . . . 0.0 112.16 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -63.42 -47.84 80.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.306 1.043 . . . . 0.0 112.777 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.2 66.14 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.637 1.175 . . . . 0.0 113.469 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -69.54 -37.96 77.28 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.364 1.066 . . . . 0.0 112.663 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -64.31 155.51 31.94 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.749 0.704 . . . . 0.0 111.731 170.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t0 57.5 16.97 3.58 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 126.339 1.856 . . . . 0.0 114.961 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.7 p -66.53 -53.25 36.92 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.879 1.672 . . . . 0.0 113.027 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 96.3 mmm -138.55 165.64 26.36 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 128.113 2.565 . . . . 0.0 110.931 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -69.56 153.14 43.91 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.461 1.104 . . . . 0.0 111.805 175.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -80.06 91.86 5.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.111 1.364 . . . . 0.0 111.275 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -72.96 90.6 1.49 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.788 1.235 . . . . 0.0 111.812 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.8 m -138.9 114.81 10.08 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.762 1.625 . . . . 0.0 110.719 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t -60.02 127.29 31.15 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.781 0.832 . . . . 0.0 111.161 174.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -142.94 153.01 42.64 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.212 1.405 . . . . 0.0 110.977 -175.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.6 m -78.53 78.44 4.99 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.053 0.941 . . . . 0.0 110.68 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.7 t -153.64 162.16 41.51 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.644 1.978 . . . . 0.0 111.066 177.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.6 mp -111.02 79.15 1.17 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.632 1.573 . . . . 0.0 110.437 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -81.58 157.71 24.65 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.649 0.78 . . . . 0.0 112.786 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -116.6 -6.87 11.63 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 126.471 1.908 . . . . 0.0 115.16 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -122.96 99.74 6.53 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.033 1.733 . . . . 0.0 110.535 -177.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.6 tt -149.82 146.31 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.97 1.308 . . . . 0.0 111.869 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 62.5 m -76.49 64.67 2.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.603 1.561 . . . . 0.0 112.383 176.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.8 t -58.5 -32.92 69.25 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.985 0.914 . . . . 0.0 112.957 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.39 -33.78 75.44 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.025 -1.047 . . . . 0.0 113.011 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -73.18 -36.64 66.61 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.912 0.885 . . . . 0.0 111.238 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -61.22 -35.42 77.15 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.857 0.863 . . . . 0.0 112.701 175.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.1 mt -55.33 -37.46 67.44 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.297 0.953 . . . . 0.0 112.492 175.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -65.64 -31.78 72.99 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.7 1.2 . . . . 0.0 112.787 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -45.16 69.51 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.263 1.025 . . . . 0.0 111.486 172.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.64 -42.6 93.12 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.349 1.06 . . . . 0.0 112.358 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -79.35 77.2 5.91 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.542 1.137 . . . . 0.0 112.623 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -86.85 96.34 10.18 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.288 1.435 . . . . 0.0 111.732 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -69.99 153.26 43.46 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.949 -1.095 . . . . 0.0 112.28 174.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -66.42 -30.17 70.48 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.294 1.838 . . . . 0.0 113.977 -174.338 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.499 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.6 p -66.94 161.52 23.95 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.23 1.012 . . . . 0.0 112.446 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.28 167.14 25.0 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.929 1.292 . . . . 0.0 112.322 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.6 ptp -151.49 150.05 29.93 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.688 1.595 . . . . 0.0 111.692 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.28 162.66 41.05 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.608 1.563 . . . . 0.0 111.214 173.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -134.54 90.45 2.66 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.231 1.413 . . . . 0.0 110.543 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.7 pt -112.53 34.98 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.505 1.922 . . . . 0.0 112.118 -175.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.07 -142.77 11.96 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 126.624 2.059 . . . . 0.0 112.675 173.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.1 m -136.0 131.76 35.43 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.0 1.32 . . . . 0.0 111.558 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.18 -5.53 10.45 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.191 1.796 . . . . 0.0 113.955 -175.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -79.97 -17.48 52.83 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.876 1.27 . . . . 0.0 114.164 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -78.66 140.49 38.38 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.914 1.285 . . . . 0.0 112.708 -174.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -121.61 19.44 11.16 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 126.312 1.845 . . . . 0.0 113.96 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 p -115.56 159.13 39.78 Favored Pre-proline 0 N--CA 1.479 1.002 0 C-N-CA 126.322 1.849 . . . . 0.0 112.09 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.82 172.86 14.46 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 123.123 2.549 . . . . 0.0 112.181 173.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.3 p -62.81 155.39 26.96 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.38 1.072 . . . . 0.0 113.363 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -82.74 89.5 6.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.072 1.349 . . . . 0.0 111.243 -178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -137.48 148.92 46.44 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.953 1.301 . . . . 0.0 111.08 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -68.2 -8.65 40.68 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.616 1.567 . . . . 0.0 115.202 175.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.0 ttt85 -55.42 108.54 0.44 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 127.285 2.234 . . . . 0.0 111.7 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.8 tp -66.59 148.3 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.962 0.905 . . . . 0.0 111.305 173.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -85.33 57.23 4.33 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.198 1.799 . . . . 0.0 112.965 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -57.66 -21.16 38.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.412 1.085 . . . . 0.0 113.726 174.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.4 m -56.09 -27.93 55.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.292 1.437 . . . . 0.0 112.933 174.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -56.5 -49.49 77.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.249 1.42 . . . . 0.0 111.098 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -74.95 -42.29 57.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.856 0.862 . . . . 0.0 112.353 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -68.45 -22.08 64.6 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -174.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -131.83 101.72 15.27 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.591 1.156 . . . . 0.0 112.197 -172.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.48 -15.5 41.82 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.596 2.864 . . . . 0.0 115.188 -167.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 53.1 mtp -58.95 -25.31 63.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.841 0.857 . . . . 0.0 112.832 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.22 -56.64 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 123.43 0.692 . . . . 0.0 110.461 176.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -51.79 -45.32 63.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.912 0.885 . . . . 0.0 112.416 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -60.97 -35.9 77.98 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.929 1.291 . . . . 0.0 113.417 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.69 -52.58 56.46 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.344 -0.848 . . . . 0.0 112.219 174.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.44 -38.14 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 CA-C-N 119.237 0.926 . . . . 0.0 111.314 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -59.43 -23.85 63.02 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.0 mtm -81.79 -9.22 59.68 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 172.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.08 -2.55 14.49 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.711 1.625 . . . . 0.0 115.739 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -68.11 162.12 25.4 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.292 1.546 . . . . 0.0 112.9 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.4 m -87.85 141.52 28.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.906 1.282 . . . . 0.0 111.986 175.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -51.03 -45.01 61.13 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.146 0.978 . . . . 0.0 112.993 175.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -42.85 69.63 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.165 1.786 . . . . 0.0 113.038 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.56 -41.49 92.89 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.461 0.573 . . . . 0.0 111.553 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mm -70.1 -49.22 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-N 118.529 0.604 . . . . 0.0 111.746 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -43.42 85.0 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.89 0.768 . . . . 0.0 111.602 175.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -58.99 -53.89 53.26 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.354 1.462 . . . . 0.0 111.829 175.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 tt -67.24 -34.93 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 118.784 0.72 . . . . 0.0 112.657 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.4 mmt -61.11 -58.08 9.87 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.95 0.9 . . . . 0.0 111.836 172.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.04 -38.53 86.48 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.866 0.757 . . . . 0.0 112.38 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.19 -50.74 69.11 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.284 1.033 . . . . 0.0 111.769 174.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -54.38 -50.45 67.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.796 1.238 . . . . 0.0 111.849 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.91 -49.45 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.653 0.781 . . . . 0.0 110.895 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -64.0 -43.13 96.63 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.568 1.147 . . . . 0.0 113.421 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.0 mm -77.4 -53.2 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.324 1.45 . . . . 0.0 111.946 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -89.59 -35.02 16.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.183 1.393 . . . . 0.0 114.086 -169.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.49 -17.59 25.83 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 126.021 1.772 . . . . 0.0 115.135 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.1 p -144.14 156.51 44.36 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.897 1.679 . . . . 0.0 111.69 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -82.12 170.39 15.55 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.73 0.812 . . . . 0.0 113.151 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -63.86 143.64 57.69 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.524 1.129 . . . . 0.0 112.279 175.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -113.17 -15.65 12.72 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.0 p -136.82 152.53 50.38 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.949 1.3 . . . . 0.0 110.911 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.36 -31.43 72.21 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.743 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -53.06 -55.88 20.38 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.257 1.023 . . . . 0.0 112.624 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.5 -37.81 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.981 -0.449 . . . . 0.0 112.088 177.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -56.33 22.98 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.876 0.87 . . . . 0.0 111.097 178.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.0 m -70.27 -33.58 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.288 1.035 . . . . 0.0 112.753 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.84 75.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.507 0.723 . . . . 0.0 111.666 171.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -65.4 -37.76 87.94 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.692 -0.63 . . . . 0.0 112.091 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.0 mt -56.91 -56.97 14.8 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.243 1.017 . . . . 0.0 112.324 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.5 -41.42 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-N 118.909 0.777 . . . . 0.0 111.349 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -61.41 -45.17 95.46 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.091 0.86 . . . . 0.0 112.703 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.91 -33.18 71.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -19.36 32.14 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -66.13 179.78 0.88 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.536 1.935 . . . . 0.0 113.199 168.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -55.13 -19.6 7.98 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.549 2.74 . . . . 0.0 115.312 168.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.7 t -73.71 85.45 1.64 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.671 1.188 . . . . 0.0 111.489 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 43.5 mtm -65.15 164.39 13.21 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.777 1.231 . . . . 0.0 111.857 170.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -126.19 139.48 53.32 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.337 1.455 . . . . 0.0 110.913 173.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -70.66 167.51 18.47 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.071 0.949 . . . . 0.0 111.89 175.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 58.53 15.41 3.57 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.597 1.959 . . . . 0.0 114.779 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.3 t -55.09 -60.07 3.89 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.808 1.643 . . . . 0.0 113.826 -172.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -159.82 173.44 15.98 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.415 1.486 . . . . 0.0 111.622 176.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -141.09 116.24 9.94 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.746 1.619 . . . . 0.0 111.084 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 54.3 m -92.95 125.55 37.6 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.279 1.432 . . . . 0.0 111.11 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.5 p -106.38 0.6 25.05 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.025 1.73 . . . . 0.0 114.469 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.58 165.58 12.06 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.115 1.366 . . . . 0.0 112.779 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -129.58 169.72 14.66 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.399 1.88 . . . . 0.0 112.049 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -120.0 120.22 35.71 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.571 1.948 . . . . 0.0 110.229 -173.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -57.33 145.55 31.93 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.837 1.255 . . . . 0.0 113.979 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.1 tt -67.9 137.57 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.113 0.965 . . . . 0.0 111.762 176.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.1 t -76.87 123.8 26.79 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.759 0.824 . . . . 0.0 111.648 174.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.3 m -60.06 -20.58 58.78 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.3 1.04 . . . . 0.0 112.619 174.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -56.45 -31.62 64.14 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.729 1.212 . . . . 0.0 112.713 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -71.43 -26.12 62.61 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.13 -0.981 . . . . 0.0 113.225 174.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -73.64 -28.98 62.07 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.314 -0.866 . . . . 0.0 112.248 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.15 -21.87 66.48 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.818 0.847 . . . . 0.0 113.031 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -61.47 -24.82 66.83 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.117 0.967 . . . . 0.0 113.05 171.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -77.04 -21.57 54.3 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.198 1.399 . . . . 0.0 113.862 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.3 tp -64.51 -56.53 13.47 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.218 1.007 . . . . 0.0 111.614 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.16 147.05 52.82 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.063 0.545 . . . . 0.0 110.741 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -129.7 135.67 48.77 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.861 1.264 . . . . 0.0 110.945 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -132.75 168.23 18.72 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.639 1.576 . . . . 0.0 111.996 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -125.12 126.8 45.88 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.798 1.639 . . . . 0.0 110.228 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.808 1.643 . . . . 0.0 113.9 177.153 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 p -129.15 126.42 39.23 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.73 1.612 . . . . 0.0 112.027 -174.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.37 -49.84 51.7 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.293 1.037 . . . . 0.0 112.499 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.0 tmm? -83.71 107.72 16.32 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.015 1.326 . . . . 0.0 110.309 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.9 7.95 6.74 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.717 1.607 . . . . 0.0 113.359 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -99.83 69.41 1.57 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.979 2.111 . . . . 0.0 112.065 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.4 -0.68 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.04 1.736 . . . . 0.0 114.076 177.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.66 -66.11 1.19 Allowed Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.208 1.385 . . . . 0.0 112.856 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 t -145.3 173.69 11.75 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.907 1.683 . . . . 0.0 111.76 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -136.78 -9.38 1.84 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.698 1.599 . . . . 0.0 114.802 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -148.64 101.59 3.23 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.617 1.167 . . . . 0.0 111.318 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -75.14 116.48 15.92 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.289 1.035 . . . . 0.0 111.108 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -65.82 173.29 2.97 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.325 1.05 . . . . 0.0 112.479 170.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 p -62.37 153.12 77.54 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.797 1.239 . . . . 0.0 113.225 174.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.01 -27.3 25.46 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.137 2.558 . . . . 0.0 113.714 -175.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.0 m -139.57 148.71 42.92 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.416 1.886 . . . . 0.0 110.266 173.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tt -99.0 -57.52 2.15 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.358 1.463 . . . . 0.0 110.321 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.0 m -63.92 129.24 39.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.222 1.809 . . . . 0.0 112.287 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -80.33 142.47 34.45 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.263 1.425 . . . . 0.0 111.505 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -144.08 148.42 35.12 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.577 2.351 . . . . 0.0 110.41 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.5 tp -68.74 161.16 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.63 1.172 . . . . 0.0 111.096 167.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.405 ' H ' HD12 ' A' ' 25' ' ' ILE . 16.9 t70 -148.54 142.12 25.45 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.58 1.552 . . . . 0.0 110.344 170.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.27 -21.5 66.61 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 91.1 m -66.32 -26.59 67.37 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.825 -1.172 . . . . 0.0 112.71 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.405 HD12 ' H ' ' A' ' 22' ' ' ASP . 85.3 mt -58.85 -45.03 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.885 1.274 . . . . 0.0 110.986 177.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.85 -32.37 59.73 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.983 0.913 . . . . 0.0 112.865 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -84.41 -18.46 35.95 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -174.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -130.57 101.67 17.12 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 124.33 1.052 . . . . 0.0 112.253 -167.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.52 -17.01 43.56 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.247 2.631 . . . . 0.0 114.635 -169.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.2 mtp -59.56 -23.74 63.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.447 1.099 . . . . 0.0 112.952 171.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.04 -61.58 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.844 0.858 . . . . 0.0 110.336 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -53.86 -40.95 66.96 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.489 1.116 . . . . 0.0 112.467 -176.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -61.18 -33.3 73.22 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.845 1.258 . . . . 0.0 113.605 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.18 -52.34 35.53 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.131 0.878 . . . . 0.0 111.832 174.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -53.91 -39.61 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 119.225 0.92 . . . . 0.0 111.468 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -58.87 -21.29 56.82 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.9 mtm -83.45 -9.78 58.79 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 171.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.53 -2.72 13.81 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.776 1.655 . . . . 0.0 115.565 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -68.28 168.22 12.85 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.142 1.471 . . . . 0.0 113.006 173.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 m -99.86 134.03 43.36 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.693 1.597 . . . . 0.0 111.828 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -46.39 -48.59 18.59 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.097 1.359 . . . . 0.0 113.228 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -29.62 63.02 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.126 1.771 . . . . 0.0 114.598 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -85.0 -36.62 21.18 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.049 0.84 . . . . 0.0 111.502 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.7 -50.35 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 118.526 0.603 . . . . 0.0 110.683 175.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -35.42 78.36 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.516 -0.74 . . . . 0.0 112.464 177.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -50.14 69.1 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.188 0.995 . . . . 0.0 111.656 176.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.0 tt -67.55 -35.84 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.452 0.569 . . . . 0.0 112.024 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.7 mmt -59.67 -57.89 10.98 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.672 1.189 . . . . 0.0 112.321 172.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.62 -40.49 92.11 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.851 0.75 . . . . 0.0 111.964 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.07 -45.57 80.83 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.689 0.796 . . . . 0.0 112.072 177.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -53.52 -57.42 10.77 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.847 1.259 . . . . 0.0 110.948 172.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.38 -44.19 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.603 0.761 . . . . 0.0 111.153 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.72 -46.73 89.29 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.835 1.254 . . . . 0.0 113.226 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -81.36 -52.53 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.64 1.176 . . . . 0.0 112.184 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.1 t -81.55 -27.45 34.35 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.933 1.693 . . . . 0.0 113.897 -173.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.52 -6.97 77.89 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.658 1.599 . . . . 0.0 115.207 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.5 m -147.65 162.02 39.98 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.001 1.72 . . . . 0.0 112.242 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -64.94 178.23 0.85 Allowed 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 126.465 1.906 . . . . 0.0 112.997 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.31 150.78 45.99 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.639 1.175 . . . . 0.0 112.554 170.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -75.48 -56.31 4.83 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.841 1.656 . . . . 0.0 112.408 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.3 m -144.97 166.46 25.24 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.846 2.058 . . . . 0.0 110.523 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.12 -34.55 70.34 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.264 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -52.53 -50.57 62.58 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.173 0.989 . . . . 0.0 112.67 177.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.9 -45.15 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.966 0.907 . . . . 0.0 110.46 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.0 -56.63 18.37 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.082 1.353 . . . . 0.0 111.468 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.72 -34.52 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.299 1.04 . . . . 0.0 112.9 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.35 -49.22 77.81 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.66 0.664 . . . . 0.0 111.362 171.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.55 -34.43 78.24 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.464 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.7 mt -59.67 -58.08 10.12 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.823 1.192 . . . . 0.0 112.351 171.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.3 m -62.89 -26.79 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.739 0.7 . . . . 0.0 112.704 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -68.99 -58.1 4.57 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.438 1.095 . . . . 0.0 111.482 169.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.35 -35.18 71.54 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.179 1.392 . . . . 0.0 113.767 -176.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -16.91 53.9 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 175.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -80.45 -31.04 37.51 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.658 1.183 . . . . 0.0 113.22 168.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.4 p30 -121.22 36.13 4.69 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.313 1.445 . . . . 0.0 114.097 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.4 p -55.02 162.69 1.23 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.031 1.733 . . . . 0.0 113.165 170.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 60.3 mtp -135.71 162.67 32.09 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.195 0.998 . . . . 0.0 112.756 -172.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -79.63 67.8 5.5 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.569 1.548 . . . . 0.0 111.941 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.85 140.19 58.84 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.107 0.963 . . . . 0.0 112.099 172.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -69.02 120.47 14.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.736 1.214 . . . . 0.0 111.024 176.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.8 t -141.06 118.38 11.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.765 1.226 . . . . 0.0 111.932 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.9 p -60.53 135.07 57.64 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.445 1.498 . . . . 0.0 112.83 179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -79.62 88.79 5.12 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.628 1.171 . . . . 0.0 111.129 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.9 p -63.88 161.24 15.93 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 121.22 -0.925 . . . . 0.0 112.041 171.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 m 59.48 22.52 11.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.589 1.556 . . . . 0.0 115.021 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.86 -28.55 69.57 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.847 1.259 . . . . 0.0 114.297 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -72.23 120.67 18.17 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.851 1.261 . . . . 0.0 111.35 -176.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -137.43 166.11 24.62 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.66 1.584 . . . . 0.0 112.674 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.73 130.78 43.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.256 1.422 . . . . 0.0 110.315 172.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.94 110.83 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.7 1.2 . . . . 0.0 110.596 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.3 p -112.49 30.5 7.05 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.682 1.993 . . . . 0.0 113.55 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 t -69.53 -30.34 68.15 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.843 -1.16 . . . . 0.0 113.326 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -26.4 65.08 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.681 -1.262 . . . . 0.0 113.915 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.2 mp0 -63.38 -37.33 86.87 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.946 -1.096 . . . . 0.0 112.338 169.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.46 -36.93 82.14 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.383 -0.823 . . . . 0.0 111.861 174.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.5 tp -56.18 -44.62 79.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.449 0.7 . . . . 0.0 111.24 174.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.0 tpt85 -62.52 -39.76 94.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.191 0.996 . . . . 0.0 112.89 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -64.56 -45.37 87.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.17 1.388 . . . . 0.0 112.216 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 75.7 mt -65.17 -45.16 86.02 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.375 1.47 . . . . 0.0 112.976 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -75.65 91.44 2.88 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.799 1.24 . . . . 0.0 112.26 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -133.69 106.56 7.43 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.64 1.576 . . . . 0.0 111.525 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.95 117.57 12.63 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.621 1.169 . . . . 0.0 111.272 173.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.81 157.98 26.24 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.013 0.925 . . . . 0.0 112.987 177.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.318 1.847 . . . . 0.0 110.781 -178.808 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -149.32 156.7 42.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.219 1.408 . . . . 0.0 111.16 173.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.26 153.32 31.95 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.401 1.08 . . . . 0.0 112.444 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.3 mmm -139.33 117.22 11.64 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.03 1.732 . . . . 0.0 110.822 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.4 74.8 2.48 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.815 1.246 . . . . 0.0 111.844 175.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -138.67 84.18 2.0 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.151 1.38 . . . . 0.0 111.875 -176.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.2 pt -96.1 -1.86 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.93 1.692 . . . . 0.0 114.152 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.49 122.39 6.33 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.987 1.28 . . . . 0.0 112.979 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 m -140.57 154.09 46.36 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.913 1.685 . . . . 0.0 110.485 171.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -128.43 -53.64 1.27 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.999 0.919 . . . . 0.0 113.278 -173.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -77.45 177.14 8.24 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.641 1.176 . . . . 0.0 111.636 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -142.74 143.77 32.38 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.535 1.134 . . . . 0.0 111.551 172.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -90.49 161.9 15.3 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.005 1.322 . . . . 0.0 111.843 173.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 p -71.5 155.15 92.98 Favored Pre-proline 0 N--CA 1.477 0.914 0 C-N-CA 124.468 1.107 . . . . 0.0 112.108 168.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.25 153.03 50.88 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.516 2.811 . . . . 0.0 112.514 178.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.7 p -142.41 5.89 1.66 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.889 1.676 . . . . 0.0 113.951 -177.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.6 tp -63.46 -36.77 84.85 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.884 1.674 . . . . 0.0 113.757 -171.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 t -152.64 -169.84 3.46 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.546 1.938 . . . . 0.0 110.865 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 ptp85 -55.57 166.81 0.6 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.343 1.857 . . . . 0.0 112.869 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.67 114.14 27.69 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.549 1.14 . . . . 0.0 111.853 174.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.9 tt -119.95 112.38 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.238 1.815 . . . . 0.0 111.145 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -93.3 -9.64 38.22 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.857 1.263 . . . . 0.0 113.874 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -57.02 -28.04 62.15 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.719 -1.238 . . . . 0.0 113.554 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.4 m -62.09 -26.16 68.12 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.221 1.408 . . . . 0.0 113.342 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.4 mt -59.76 -43.44 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.622 1.169 . . . . 0.0 111.001 171.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -43.77 59.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.536 0.734 . . . . 0.0 112.362 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -71.36 -19.03 62.34 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.46 92.07 32.84 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 124.838 1.255 . . . . 0.0 111.023 -167.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.3 -16.75 48.94 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.101 2.534 . . . . 0.0 114.621 -168.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 51.8 mtp -54.83 -26.89 38.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.084 1.353 . . . . 0.0 113.274 169.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.83 -54.45 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 123.826 0.851 . . . . 0.0 111.241 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -56.2 -41.67 75.93 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.544 0.738 . . . . 0.0 112.33 -176.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -63.21 -34.94 78.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.938 1.295 . . . . 0.0 113.088 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -51.17 62.37 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.289 -0.882 . . . . 0.0 111.917 173.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -55.43 -41.93 65.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 119.231 0.923 . . . . 0.0 111.369 173.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -56.24 -29.47 61.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.625 1.17 . . . . 0.0 114.011 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.5 mtm -76.42 -12.67 60.09 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.17 -5.32 9.52 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.454 1.502 . . . . 0.0 115.837 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -66.52 156.22 35.48 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.254 1.527 . . . . 0.0 111.978 171.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.0 m -82.17 149.22 28.05 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.118 -0.989 . . . . 0.0 111.871 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.86 -49.18 59.64 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.699 1.199 . . . . 0.0 112.973 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.61 -44.75 37.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.642 1.977 . . . . 0.0 112.789 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.89 -42.91 97.36 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.758 0.823 . . . . 0.0 110.781 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mm -70.35 -53.32 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 123.226 0.61 . . . . 0.0 110.901 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -38.22 72.36 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.93 176.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -62.21 -52.37 64.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.735 1.214 . . . . 0.0 111.977 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 tt -66.47 -32.65 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 118.921 0.782 . . . . 0.0 112.132 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mtt -66.61 -51.49 55.76 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.965 0.802 . . . . 0.0 113.133 174.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -59.87 -38.79 83.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.357 0.98 . . . . 0.0 111.775 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.78 -49.74 67.25 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.425 -0.797 . . . . 0.0 113.116 171.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -55.02 -48.19 73.7 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.286 0.948 . . . . 0.0 111.548 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.91 -48.55 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.965 0.906 . . . . 0.0 111.011 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -64.7 -50.53 66.58 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.057 0.943 . . . . 0.0 113.402 -177.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.3 mm -74.94 -53.83 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.931 1.692 . . . . 0.0 111.679 -176.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 t -88.14 -20.43 25.65 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.5 1.12 . . . . 0.0 113.916 -171.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.61 -12.67 68.46 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 125.884 1.707 . . . . 0.0 115.348 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.6 p -149.88 154.96 39.2 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.867 1.667 . . . . 0.0 111.837 177.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -78.58 168.05 20.34 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.338 1.055 . . . . 0.0 112.677 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -61.06 155.2 20.86 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.394 1.477 . . . . 0.0 112.988 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -126.95 -4.97 6.28 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.482 1.513 . . . . 0.0 114.778 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.6 t -143.72 149.09 36.65 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.748 1.619 . . . . 0.0 110.151 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.6 -30.9 70.98 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 118.944 -0.55 . . . . 0.0 111.564 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -55.62 -55.48 31.54 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.525 1.13 . . . . 0.0 112.396 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.5 p -65.63 -37.63 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 123.273 0.629 . . . . 0.0 111.801 175.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.67 -56.29 24.02 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.306 1.042 . . . . 0.0 111.447 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.78 -33.02 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.308 1.043 . . . . 0.0 112.815 -175.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.63 70.93 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.838 0.855 . . . . 0.0 111.517 171.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.14 -36.21 83.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 118.713 -0.66 . . . . 0.0 112.299 176.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.0 mt -56.47 -60.59 3.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.288 1.035 . . . . 0.0 111.764 173.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.9 m -58.51 -39.2 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-N 119.34 0.973 . . . . 0.0 111.912 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.91 -49.12 78.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.222 1.009 . . . . 0.0 112.743 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.3 -27.77 66.59 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.564 1.146 . . . . 0.0 113.388 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -73.98 -21.39 60.02 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.701 1.2 . . . . 0.0 113.42 173.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -76.05 174.62 9.79 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.511 1.051 . . . . 0.0 111.764 169.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 55.08 36.33 26.73 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.427 1.491 . . . . 0.0 113.454 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.78 156.1 9.27 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 127.0 2.12 . . . . 0.0 113.921 -174.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 99.1 mmm -67.65 151.7 46.85 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.798 0.839 . . . . 0.0 112.186 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -76.54 135.77 39.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.476 0.711 . . . . 0.0 112.131 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 p30 -164.36 -173.29 3.03 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 127.348 2.259 . . . . 0.0 112.001 -175.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -140.05 145.47 37.76 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.12 1.368 . . . . 0.0 111.971 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 97.6 p -149.88 161.48 42.2 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.499 1.52 . . . . 0.0 111.735 166.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.9 p -91.26 160.78 15.34 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.807 1.243 . . . . 0.0 111.812 168.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -149.91 146.18 26.93 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.213 1.405 . . . . 0.0 110.585 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.2 p -136.64 131.02 33.1 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.351 1.461 . . . . 0.0 112.446 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 64.1 m -137.79 165.91 25.3 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.256 1.822 . . . . 0.0 112.279 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.1 mt -100.01 118.77 37.1 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.972 1.709 . . . . 0.0 111.864 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.8 mm100 -91.03 -37.05 13.7 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.693 1.197 . . . . 0.0 113.159 175.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -72.5 118.81 15.86 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.761 1.624 . . . . 0.0 111.14 -177.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -142.68 175.67 9.63 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.17 1.788 . . . . 0.0 110.839 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 48.7 mm -56.68 139.38 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.833 1.253 . . . . 0.0 110.672 171.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.9 t -133.05 138.31 46.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.761 1.624 . . . . 0.0 110.96 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.3 t -58.1 -21.12 44.78 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.126 1.37 . . . . 0.0 114.283 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -59.96 -29.02 68.14 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.982 0.913 . . . . 0.0 112.752 173.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -73.41 -39.61 64.92 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 120.964 -1.085 . . . . 0.0 111.679 171.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -63.02 -24.37 67.89 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.263 -0.898 . . . . 0.0 113.156 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.1 -29.74 68.79 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 119.557 1.071 . . . . 0.0 113.063 171.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -73.27 -21.01 60.7 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.27 0.941 . . . . 0.0 113.259 174.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -28.94 61.71 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.615 1.566 . . . . 0.0 112.226 176.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.7 mt -56.71 -46.61 81.14 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.357 1.463 . . . . 0.0 113.25 -177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 51.76 30.93 7.43 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.376 1.87 . . . . 0.0 113.885 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.09 90.64 3.43 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.334 1.853 . . . . 0.0 110.909 -175.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -64.04 124.16 20.89 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.147 1.379 . . . . 0.0 111.319 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -142.26 159.76 41.59 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.321 1.448 . . . . 0.0 113.144 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--O 1.251 1.173 0 C-N-CA 126.875 2.07 . . . . 0.0 110.727 177.348 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.414 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 t -126.69 164.32 21.56 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.379 1.871 . . . . 0.0 111.581 178.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.62 -60.94 0.19 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.54 1.536 . . . . 0.0 111.812 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.5 mtm -69.91 163.89 24.99 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.98 1.312 . . . . 0.0 112.111 174.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.54 158.48 44.33 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.186 1.394 . . . . 0.0 112.391 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -108.36 78.3 1.16 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.184 1.394 . . . . 0.0 111.72 -173.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 pt -80.05 -8.64 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.609 1.164 . . . . 0.0 114.133 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.24 -111.85 3.41 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.146 1.355 . . . . 0.0 112.112 -173.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 t -150.35 176.96 10.42 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.093 1.357 . . . . 0.0 112.257 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -125.12 -66.02 0.99 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.273 1.829 . . . . 0.0 111.794 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -69.72 159.42 33.54 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.921 0.888 . . . . 0.0 112.666 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -123.3 80.92 1.83 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.673 1.589 . . . . 0.0 110.934 -177.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -76.78 150.71 36.16 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.107 0.963 . . . . 0.0 111.432 167.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.1 p -145.33 161.1 43.11 Favored Pre-proline 0 N--CA 1.48 1.059 0 C-N-CA 125.832 1.653 . . . . 0.0 111.694 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -70.72 175.98 8.14 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 123.225 2.617 . . . . 0.0 112.597 172.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 t -52.14 141.43 18.61 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.862 1.665 . . . . 0.0 114.004 -175.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.04 115.89 28.26 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.876 1.671 . . . . 0.0 110.793 -177.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 m -132.36 143.32 49.76 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.898 1.279 . . . . 0.0 110.57 177.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -0.86 8.34 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -52.63 110.41 0.51 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.561 2.345 . . . . 0.0 111.853 -178.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.8 pt -71.6 176.7 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.05 1.34 . . . . 0.0 112.546 176.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -148.47 140.54 23.98 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.406 1.482 . . . . 0.0 110.215 171.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -61.74 -19.14 62.11 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.83 -1.168 . . . . 0.0 112.879 170.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.8 m -63.72 -24.93 67.97 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.023 -1.048 . . . . 0.0 113.026 170.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.85 -49.6 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.244 1.017 . . . . 0.0 110.236 170.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -70.06 -44.36 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.064 0.946 . . . . 0.0 112.635 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -71.92 -17.42 62.1 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -129.17 96.4 28.56 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.45 1.1 . . . . 0.0 111.228 -171.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -67.21 -16.42 48.58 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.392 2.728 . . . . 0.0 114.712 -167.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtp -60.01 -20.12 56.1 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.988 1.315 . . . . 0.0 113.471 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -59.88 -57.74 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 123.87 0.868 . . . . 0.0 110.858 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -55.23 -39.79 70.1 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.583 0.628 . . . . 0.0 112.202 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -60.76 -40.05 91.05 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.368 1.467 . . . . 0.0 113.209 174.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.78 63.31 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.48 -0.763 . . . . 0.0 112.191 175.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -55.2 -41.04 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.419 1.008 . . . . 0.0 111.32 174.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 -59.87 -24.03 63.91 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.8 mtm -78.63 -11.74 59.98 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 171.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.01 -4.27 9.74 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.71 1.624 . . . . 0.0 115.823 176.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -69.68 166.34 19.36 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 119.094 1.447 . . . . 0.0 113.201 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 m -91.53 142.76 27.3 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.455 1.102 . . . . 0.0 112.173 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -51.05 -46.32 61.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.034 0.934 . . . . 0.0 112.739 172.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -64.27 -12.83 45.14 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -96.41 -35.42 11.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.07 0.85 . . . . 0.0 112.247 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mm -68.36 -50.01 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 119.464 1.029 . . . . 0.0 111.169 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -44.22 75.14 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.794 -0.566 . . . . 0.0 111.369 176.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -64.46 -54.16 36.88 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.366 1.466 . . . . 0.0 111.444 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.3 tt -62.44 -35.19 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 118.543 0.611 . . . . 0.0 111.99 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.3 mtt -66.63 -53.99 28.12 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.073 0.852 . . . . 0.0 113.169 173.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.49 -35.37 75.76 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.925 1.239 . . . . 0.0 112.323 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.67 -49.76 67.41 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.276 1.031 . . . . 0.0 111.768 172.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -54.83 -49.63 70.56 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.347 1.459 . . . . 0.0 112.188 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.6 mt -59.66 -45.25 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.74 0.816 . . . . 0.0 110.617 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -63.67 -50.83 67.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.267 1.027 . . . . 0.0 112.787 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.9 mm -72.88 -51.53 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.703 1.601 . . . . 0.0 112.307 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 t -92.23 -40.45 10.96 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.171 1.389 . . . . 0.0 113.556 -170.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.8 -15.76 13.97 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 125.763 1.649 . . . . 0.0 115.427 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.0 m -139.32 147.27 41.36 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.897 1.679 . . . . 0.0 111.009 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -74.2 166.68 23.02 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.235 0.541 . . . . 0.0 111.96 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -65.06 141.52 58.71 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.625 1.17 . . . . 0.0 112.266 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -121.37 -5.13 9.36 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.905 1.682 . . . . 0.0 115.238 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 m -136.14 145.52 45.92 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.752 1.221 . . . . 0.0 110.97 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 mp -55.87 -46.66 78.23 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.468 1.107 . . . . 0.0 111.172 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.55 -55.35 19.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.286 1.435 . . . . 0.0 112.996 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.34 -38.32 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 122.975 0.51 . . . . 0.0 112.146 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -55.67 29.08 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.774 0.829 . . . . 0.0 110.658 177.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.69 -34.99 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.023 0.929 . . . . 0.0 112.875 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.21 82.83 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.571 0.748 . . . . 0.0 111.506 171.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -64.72 -38.57 91.43 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.998 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.8 mt -57.51 -57.03 14.49 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 120.045 1.293 . . . . 0.0 112.411 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 m -63.87 -20.33 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -82.48 -49.47 9.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.176 0.99 . . . . 0.0 112.336 173.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.74 71.81 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.232 1.413 . . . . 0.0 113.698 -177.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -73.31 -12.97 61.02 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 176.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -70.98 162.68 28.97 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.127 0.876 . . . . 0.0 111.078 174.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -135.99 156.67 48.39 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.103 1.361 . . . . 0.0 110.833 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.1 t -71.42 -43.12 67.35 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.003 1.321 . . . . 0.0 111.845 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 96.8 mmm -71.4 153.23 42.45 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.566 1.146 . . . . 0.0 111.568 173.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -130.68 45.82 2.76 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.324 1.45 . . . . 0.0 110.739 177.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -70.26 96.31 1.1 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.543 1.537 . . . . 0.0 111.563 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -125.53 142.64 51.4 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.777 1.631 . . . . 0.0 111.35 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.6 m -142.38 108.94 5.33 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.955 1.702 . . . . 0.0 110.532 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.8 m -137.66 156.83 47.61 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.363 1.465 . . . . 0.0 111.748 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -125.35 85.27 2.38 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.81 1.644 . . . . 0.0 110.236 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.8 p -132.59 161.37 34.04 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.353 1.861 . . . . 0.0 111.376 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.4 p -123.14 2.75 9.27 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.877 1.671 . . . . 0.0 113.835 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.18 -22.13 62.07 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.654 1.582 . . . . 0.0 114.679 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -66.94 156.42 35.92 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.299 1.04 . . . . 0.0 112.417 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.87 167.99 18.02 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.852 1.661 . . . . 0.0 112.496 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -134.77 149.95 50.48 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.366 1.866 . . . . 0.0 110.505 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.6 tt -151.67 144.7 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.864 1.266 . . . . 0.0 111.203 175.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.9 m -145.32 114.02 6.8 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.617 1.567 . . . . 0.0 111.206 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 p -61.1 -24.41 66.23 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.355 1.062 . . . . 0.0 113.459 173.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -57.59 -41.5 81.31 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.644 1.177 . . . . 0.0 112.474 172.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -66.24 -29.16 69.36 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.263 -0.898 . . . . 0.0 112.883 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -70.44 -47.13 62.15 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.63 0.772 . . . . 0.0 110.813 173.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.55 -31.26 72.22 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.609 1.164 . . . . 0.0 113.197 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -46.64 80.37 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.365 1.466 . . . . 0.0 111.79 173.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -70.39 -24.31 62.92 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 175.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -46.45 79.93 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.692 1.197 . . . . 0.0 111.494 177.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -68.09 101.85 1.22 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.387 1.475 . . . . 0.0 112.756 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.58 156.5 36.73 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.857 1.263 . . . . 0.0 113.306 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -78.25 -56.45 4.45 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.891 1.276 . . . . 0.0 112.259 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -68.16 131.43 45.38 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.91 1.284 . . . . 0.0 111.988 -176.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.592 1.957 . . . . 0.0 112.775 178.168 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -151.14 170.46 19.39 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.037 1.735 . . . . 0.0 110.776 174.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.54 164.41 18.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.601 1.56 . . . . 0.0 112.69 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 9.4 tpt -76.22 -64.93 0.99 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.563 1.145 . . . . 0.0 111.635 175.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.63 139.08 58.73 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.827 0.822 . . . . 0.0 113.068 -173.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -109.32 -20.01 13.09 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.067 1.747 . . . . 0.0 113.903 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 tp -70.46 -26.19 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.006 1.322 . . . . 0.0 112.997 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.42 -134.18 42.02 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.114 0.864 . . . . 0.0 112.922 -176.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 m 51.18 54.73 10.65 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.451 1.901 . . . . 0.0 113.787 178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -52.3 -56.77 12.63 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.267 2.227 . . . . 0.0 113.232 -174.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.2 t80 50.43 24.85 1.69 Allowed 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 127.138 2.175 . . . . 0.0 115.532 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -138.57 -175.7 4.22 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.053 2.141 . . . . 0.0 111.473 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -57.96 166.57 1.45 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.402 1.481 . . . . 0.0 113.235 172.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 45.7 p -59.53 152.15 57.2 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 125.753 1.621 . . . . 0.0 113.389 -176.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -71.67 158.11 54.18 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.566 2.844 . . . . 0.0 111.921 178.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 m -69.91 167.92 16.37 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.848 1.259 . . . . 0.0 112.219 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.71 14.11 32.92 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.035 1.334 . . . . 0.0 112.847 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -78.55 -54.02 6.59 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.995 1.318 . . . . 0.0 113.662 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -157.13 -54.52 0.08 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -62.37 153.43 31.15 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.268 1.027 . . . . 0.0 110.717 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 pt -135.41 -178.56 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 126.479 1.911 . . . . 0.0 110.012 175.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.73 116.11 4.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.139 0.976 . . . . 0.0 110.03 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -61.55 -22.36 65.1 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.852 -1.155 . . . . 0.0 112.955 -177.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.0 m -55.07 -29.99 58.7 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.55 1.54 . . . . 0.0 113.192 168.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.09 -42.58 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.481 1.112 . . . . 0.0 110.911 173.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -76.56 -41.39 46.67 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.607 0.763 . . . . 0.0 112.46 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -69.64 -20.32 63.6 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -128.85 95.47 31.82 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.096 1.358 . . . . 0.0 111.501 -168.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.37 -18.77 49.97 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.32 2.68 . . . . 0.0 114.28 -170.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.5 mtp -59.02 -23.22 61.76 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.391 1.476 . . . . 0.0 112.961 171.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.52 -58.49 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.15 0.98 . . . . 0.0 110.823 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -46.85 -48.33 21.02 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.248 1.419 . . . . 0.0 112.05 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -60.6 -40.59 92.34 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.868 1.667 . . . . 0.0 113.427 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.9 77.66 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.068 -1.02 . . . . 0.0 112.303 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -55.44 -41.77 64.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 CA-C-N 119.46 1.027 . . . . 0.0 111.138 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -56.33 -33.97 66.12 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 10.3 mtm -67.09 -22.04 65.84 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.73 2.7 5.22 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.304 1.43 . . . . 0.0 116.327 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.48 ' CB ' HD11 ' A' ' 44' ' ' ILE . 69.6 m-85 -72.78 167.89 19.94 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.018 1.409 . . . . 0.0 113.217 173.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.0 m -91.83 139.31 30.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.642 1.577 . . . . 0.0 112.202 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -49.66 -48.99 49.02 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.647 1.179 . . . . 0.0 113.443 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -50.79 -50.55 55.9 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.62 1.568 . . . . 0.0 111.936 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -62.2 -43.28 99.18 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.327 0.651 . . . . 0.0 112.38 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.48 HD11 ' CB ' ' A' ' 39' ' ' PHE . 6.3 mm -64.56 -51.88 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.471 0.578 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -34.48 77.73 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.836 -0.54 . . . . 0.0 111.813 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -65.54 -50.93 63.38 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.109 1.363 . . . . 0.0 111.012 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.7 tt -64.79 -36.93 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 118.951 -0.547 . . . . 0.0 112.07 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmt -58.85 -56.84 17.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.116 0.967 . . . . 0.0 112.409 172.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.47 -40.39 94.35 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.786 0.721 . . . . 0.0 112.442 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 -45.76 83.12 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.243 0.929 . . . . 0.0 113.039 172.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -55.19 -52.31 63.74 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.909 1.231 . . . . 0.0 111.331 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.0 mt -62.55 -44.83 99.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 123.653 0.781 . . . . 0.0 110.856 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -62.61 -43.99 97.43 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.2 mm -81.26 -51.92 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.136 1.374 . . . . 0.0 111.654 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -86.16 -25.73 25.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.755 1.222 . . . . 0.0 114.136 -172.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.85 -5.45 69.23 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.392 1.472 . . . . 0.0 115.682 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -145.71 166.57 25.46 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.329 1.452 . . . . 0.0 112.682 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -77.37 166.96 22.46 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.444 1.098 . . . . 0.0 113.044 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -56.24 141.08 42.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.768 1.627 . . . . 0.0 113.365 172.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -69.14 -55.43 10.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.754 1.221 . . . . 0.0 112.532 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.2 m -148.41 169.96 19.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.869 2.068 . . . . 0.0 110.646 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.36 -34.87 67.06 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.393 0.677 . . . . 0.0 112.209 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -49.64 -50.32 43.64 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.802 1.241 . . . . 0.0 112.772 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.6 t -71.13 -40.94 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.12 0.968 . . . . 0.0 110.801 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.95 -56.57 20.33 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.766 1.226 . . . . 0.0 111.309 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.9 -32.96 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.755 1.222 . . . . 0.0 112.86 -177.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.3 -53.6 50.26 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.636 0.774 . . . . 0.0 111.645 171.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -60.93 -36.97 80.73 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.756 -0.59 . . . . 0.0 111.901 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.0 mt -56.86 -61.69 2.26 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.718 1.207 . . . . 0.0 112.56 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.75 -35.01 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.029 0.831 . . . . 0.0 111.965 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -68.42 -43.2 77.71 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.003 0.921 . . . . 0.0 112.802 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.36 83.53 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.081 0.952 . . . . 0.0 112.298 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -80.96 8.01 9.38 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.005 1.722 . . . . 0.0 114.646 176.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -61.56 96.47 0.06 Allowed 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 120.084 1.311 . . . . 0.0 112.247 173.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -154.04 -172.38 4.2 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 127.776 2.43 . . . . 0.0 109.456 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.2 t -59.55 167.9 1.82 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.848 1.259 . . . . 0.0 112.81 167.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -56.15 137.29 51.92 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.687 1.595 . . . . 0.0 112.151 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -146.97 168.06 22.43 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.6 1.56 . . . . 0.0 110.939 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.76 130.46 46.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.65 1.18 . . . . 0.0 112.719 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -151.05 172.32 15.93 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.044 1.738 . . . . 0.0 112.292 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.2 m -125.58 174.13 8.47 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.039 1.736 . . . . 0.0 111.392 174.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.8 p -154.04 132.17 11.8 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.034 1.334 . . . . 0.0 111.652 170.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -152.56 170.79 19.31 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.883 1.273 . . . . 0.0 111.342 175.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.8 p -61.73 164.89 5.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.098 1.359 . . . . 0.0 112.456 171.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.49 172.93 15.78 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.115 0.966 . . . . 0.0 113.152 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 pp -137.37 -178.62 5.3 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.743 1.617 . . . . 0.0 112.534 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -142.9 168.78 18.9 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.351 1.061 . . . . 0.0 112.022 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.69 169.7 9.6 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.905 2.082 . . . . 0.0 111.741 -178.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -120.45 165.3 15.13 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.273 1.429 . . . . 0.0 111.639 174.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 52.9 mt -134.6 145.95 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.695 1.598 . . . . 0.0 108.355 -178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.5 p -71.28 38.99 0.06 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.911 2.084 . . . . 0.0 114.108 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.3 p -57.37 -23.26 48.02 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.173 1.389 . . . . 0.0 113.435 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -54.22 -27.93 37.69 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.944 1.297 . . . . 0.0 113.866 170.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -75.88 -31.47 59.25 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.425 1.09 . . . . 0.0 112.18 174.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -68.12 -24.79 65.05 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.626 1.171 . . . . 0.0 112.414 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.09 -24.58 66.34 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.295 -0.878 . . . . 0.0 112.952 176.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -60.69 -26.75 67.34 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.79 1.177 . . . . 0.0 113.514 172.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.26 -19.69 63.49 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.626 1.57 . . . . 0.0 112.687 176.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.47 -27.5 69.32 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.369 1.068 . . . . 0.0 113.53 172.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -77.45 100.21 5.92 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.061 0.944 . . . . 0.0 110.994 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -141.1 164.8 29.28 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.33 1.452 . . . . 0.0 112.293 175.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -138.75 172.47 12.82 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.172 1.789 . . . . 0.0 111.321 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -124.52 172.7 8.99 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.161 1.784 . . . . 0.0 112.442 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.253 1.267 0 C-N-CA 126.408 1.883 . . . . 0.0 112.161 173.673 . . . . . . . . 0 0 . 1 stop_ save_